N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride

C22H25Cl2NO — CID 17156647

IUPACN-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
SMILESCCCC(NCc1ccc(-c2ccc(C)c(Cl)c2)o1)c1ccccc1.Cl
InChIInChI=1S/C22H24ClNO.ClH/c1-3-7-21(17-8-5-4-6-9-17)24-15-19-12-13-22(25-19)18-11-10-16(2)20(23)14-18;/h4-6,8-14,21,24H,3,7,15H2,1-2H3;1H
InChIKeyZBIWUOXGWODEKR-UHFFFAOYSA-N
MW390.35 g/mol
LogP6.96
Rot. Bonds7

About N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride

N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride (PubChem CID 17156647) has the molecular formula C22H25Cl2NO and a molecular weight of 390.35 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
PubChem CID17156647
Molecular FormulaC22H25Cl2NO
Molecular Weight390.35 g/mol
Exact Mass389.13
IUPAC NameN-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
SMILESCCCC(NCc1ccc(-c2ccc(C)c(Cl)c2)o1)c1ccccc1.Cl
InChIInChI=1S/C22H24ClNO.ClH/c1-3-7-21(17-8-5-4-6-9-17)24-15-19-12-13-22(25-19)18-11-10-16(2)20(23)14-18;/h4-6,8-14,21,24H,3,7,15H2,1-2H3;1H
InChIKeyZBIWUOXGWODEKR-UHFFFAOYSA-N
XLogP6.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.35
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]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-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine
CID 17156412
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211431
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]heptan-1-amine;hydrochloride
CID 17057126
2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid
CID 82119352
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211375
(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622609
1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62632916
(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
CID 8637675
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17332091
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
CID 17211376
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17333046

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride?
The IUPAC name of N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride (CID 17156647) is N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride.
What is the SMILES notation for N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride?
The canonical SMILES for N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride is CCCC(NCc1ccc(-c2ccc(C)c(Cl)c2)o1)c1ccccc1.Cl.
What is the InChIKey of N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride?
The InChIKey is ZBIWUOXGWODEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO.ClH/c1-3-7-21(17-8-5-4-6-9-17)24-15-19-12-13-22(25-19)18-11-10-16(2)20(23)14-18;/h4-6,8-14,21,24H,3,7,15H2,1-2H3;1H.
What are the key properties of N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride?
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride has a molecular weight of 390.35 g/mol, XLogP of 6.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride is sourced from PubChem (CID 17156647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).