2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine

C20H26FNO2 — CID 165123651

IUPAC2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
SMILESCCCc1cc(OC)c(CCNCc2ccccc2F)cc1OC
InChIInChI=1S/C20H26FNO2/c1-4-7-15-12-20(24-3)16(13-19(15)23-2)10-11-22-14-17-8-5-6-9-18(17)21/h5-6,8-9,12-13,22H,4,7,10-11,14H2,1-3H3
InChIKeyHYVVFVOHBDSUEF-UHFFFAOYSA-N
MW331.43 g/mol
LogP4.13
Rot. Bonds9

About 2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine

2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine (PubChem CID 165123651) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
PubChem CID165123651
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
SMILESCCCc1cc(OC)c(CCNCc2ccccc2F)cc1OC
InChIInChI=1S/C20H26FNO2/c1-4-7-15-12-20(24-3)16(13-19(15)23-2)10-11-22-14-17-8-5-6-9-18(17)21/h5-6,8-9,12-13,22H,4,7,10-11,14H2,1-3H3
InChIKeyHYVVFVOHBDSUEF-UHFFFAOYSA-N
XLogP4.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207210
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-[(2-methoxyphenyl)methyl]ethanamine
CID 162430094
N-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 66530881
2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
CID 10001761
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 66532191
2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid
CID 17367744
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine
CID 155737119
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine (CID 165123651) is 2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine is CCCc1cc(OC)c(CCNCc2ccccc2F)cc1OC.
What is the InChIKey of 2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
The InChIKey is HYVVFVOHBDSUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2/c1-4-7-15-12-20(24-3)16(13-19(15)23-2)10-11-22-14-17-8-5-6-9-18(17)21/h5-6,8-9,12-13,22H,4,7,10-11,14H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine?
2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine has a molecular weight of 331.43 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 165123651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).