N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride

C24H27ClFNO — CID 17155780

IUPACN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
SMILESCCCC(NCc1ccccc1OCc1ccccc1F)c1ccccc1.Cl
InChIInChI=1S/C24H26FNO.ClH/c1-2-10-23(19-11-4-3-5-12-19)26-17-20-13-7-9-16-24(20)27-18-21-14-6-8-15-22(21)25;/h3-9,11-16,23,26H,2,10,17-18H2,1H3;1H
InChIKeyZMNVBUVJNMSSPQ-UHFFFAOYSA-N
MW399.94 g/mol
LogP6.46
Rot. Bonds9

About N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride

N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride (PubChem CID 17155780) has the molecular formula C24H27ClFNO and a molecular weight of 399.94 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
PubChem CID17155780
Molecular FormulaC24H27ClFNO
Molecular Weight399.94 g/mol
Exact Mass399.18
IUPAC NameN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
SMILESCCCC(NCc1ccccc1OCc1ccccc1F)c1ccccc1.Cl
InChIInChI=1S/C24H26FNO.ClH/c1-2-10-23(19-11-4-3-5-12-19)26-17-20-13-7-9-16-24(20)27-18-21-14-6-8-15-22(21)25;/h3-9,11-16,23,26H,2,10,17-18H2,1H3;1H
InChIKeyZMNVBUVJNMSSPQ-UHFFFAOYSA-N
XLogP6.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.94
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride 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-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155781
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17156456
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155887
N-[(2,4-difluorophenyl)methyl]-1-phenylbutan-1-amine
CID 43222007
(2R)-2-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40727318
N-[2-(2-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 43108094
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156042
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156408
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylbutan-1-amine
CID 17155730
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722045
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295917

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride?
The IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride (CID 17155780) is N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride is CCCC(NCc1ccccc1OCc1ccccc1F)c1ccccc1.Cl.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride?
The InChIKey is ZMNVBUVJNMSSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO.ClH/c1-2-10-23(19-11-4-3-5-12-19)26-17-20-13-7-9-16-24(20)27-18-21-14-6-8-15-22(21)25;/h3-9,11-16,23,26H,2,10,17-18H2,1H3;1H.
What are the key properties of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride?
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride has a molecular weight of 399.94 g/mol, XLogP of 6.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride is sourced from PubChem (CID 17155780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).