N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine

C18H28FNO — CID 107457974

IUPACN-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COC2CCC(C)(C)CC2)c1
InChIInChI=1S/C18H28FNO/c1-4-20-12-14-5-6-17(19)15(11-14)13-21-16-7-9-18(2,3)10-8-16/h5-6,11,16,20H,4,7-10,12-13H2,1-3H3
InChIKeyMVTIULNGCVLQDN-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.42
Rot. Bonds6

About N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine

N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine (PubChem CID 107457974) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
PubChem CID107457974
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COC2CCC(C)(C)CC2)c1
InChIInChI=1S/C18H28FNO/c1-4-20-12-14-5-6-17(19)15(11-14)13-21-16-7-9-18(2,3)10-8-16/h5-6,11,16,20H,4,7-10,12-13H2,1-3H3
InChIKeyMVTIULNGCVLQDN-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]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-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457113
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 114342470
N-[[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 107457069
1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457742
N-[[4-fluoro-3-[2-(2-methylpropoxy)ethoxymethyl]phenyl]methyl]ethanamine
CID 107458028
N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457585
N-[[4-[(2,5-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 107686817
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-methylcycloheptanamine
CID 107454386
N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107457131
N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine
CID 107456817

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine (CID 107457974) is N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine is CCNCc1ccc(F)c(COC2CCC(C)(C)CC2)c1.
What is the InChIKey of N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine?
The InChIKey is MVTIULNGCVLQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-4-20-12-14-5-6-17(19)15(11-14)13-21-16-7-9-18(2,3)10-8-16/h5-6,11,16,20H,4,7-10,12-13H2,1-3H3.
What are the key properties of N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine?
N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine has a molecular weight of 293.43 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 107457974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).