N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine

C18H21ClFNO — CID 29222471

IUPACN-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESCCCOc1ccc(CNCCc2ccccc2F)cc1Cl
InChIInChI=1S/C18H21ClFNO/c1-2-11-22-18-8-7-14(12-16(18)19)13-21-10-9-15-5-3-4-6-17(15)20/h3-8,12,21H,2,9-11,13H2,1H3
InChIKeyZLBFAHPVSALZHE-UHFFFAOYSA-N
MW321.82 g/mol
LogP4.60
Rot. Bonds8

About N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine

N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 29222471) has the molecular formula C18H21ClFNO and a molecular weight of 321.82 g/mol. Its IUPAC name is N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID29222471
Molecular FormulaC18H21ClFNO
Molecular Weight321.82 g/mol
Exact Mass321.13
IUPAC NameN-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESCCCOc1ccc(CNCCc2ccccc2F)cc1Cl
InChIInChI=1S/C18H21ClFNO/c1-2-11-22-18-8-7-14(12-16(18)19)13-21-10-9-15-5-3-4-6-17(15)20/h3-8,12,21H,2,9-11,13H2,1H3
InChIKeyZLBFAHPVSALZHE-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)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-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 66532191
N'-[(3-chloro-4-propoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 29241360
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4719683
N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718662
N-[(3-bromo-4-chlorophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 83235359
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126119858
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4722411
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;dihydrochloride
CID 17055858
1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride
CID 132843394
N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 4718670
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 17294158
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine;hydrochloride
CID 11948806

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine (CID 29222471) is N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine is CCCOc1ccc(CNCCc2ccccc2F)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is ZLBFAHPVSALZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO/c1-2-11-22-18-8-7-14(12-16(18)19)13-21-10-9-15-5-3-4-6-17(15)20/h3-8,12,21H,2,9-11,13H2,1H3.
What are the key properties of N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine?
N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 321.82 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-propoxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 29222471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).