2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine

C23H28FNO2 — CID 17210043

IUPAC2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
SMILESCOc1cc(CNCCC2=CCCCC2)ccc1OCc1ccccc1F
InChIInChI=1S/C23H28FNO2/c1-26-23-15-19(16-25-14-13-18-7-3-2-4-8-18)11-12-22(23)27-17-20-9-5-6-10-21(20)24/h5-7,9-12,15,25H,2-4,8,13-14,16-17H2,1H3
InChIKeyKKDJTJVFAKTZLV-UHFFFAOYSA-N
MW369.48 g/mol
LogP5.39
Rot. Bonds9

About 2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine

2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine (PubChem CID 17210043) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
PubChem CID17210043
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
SMILESCOc1cc(CNCCC2=CCCCC2)ccc1OCc1ccccc1F
InChIInChI=1S/C23H28FNO2/c1-26-23-15-19(16-25-14-13-18-7-3-2-4-8-18)11-12-22(23)27-17-20-9-5-6-10-21(20)24/h5-7,9-12,15,25H,2-4,8,13-14,16-17H2,1H3
InChIKeyKKDJTJVFAKTZLV-UHFFFAOYSA-N
XLogP5.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.48
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 17210009
N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720357
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030
1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
CID 17292737
2-(2-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17294152
N-[(2-chlorophenyl)methyl]-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine;hydrochloride
CID 17289780
N-[[2-chloro-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 66530230
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4719683
N',N'-diethyl-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propane-1,3-diamine
CID 17214986
2-(2-fluorophenyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4723262
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4722411
2-(cyclohexen-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 18778647

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine (CID 17210043) is 2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine is COc1cc(CNCCC2=CCCCC2)ccc1OCc1ccccc1F.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
The InChIKey is KKDJTJVFAKTZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-26-23-15-19(16-25-14-13-18-7-3-2-4-8-18)11-12-22(23)27-17-20-9-5-6-10-21(20)24/h5-7,9-12,15,25H,2-4,8,13-14,16-17H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine has a molecular weight of 369.48 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 17210043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).