N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine

C17H22ClNO — CID 79437864

IUPACN-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(Cc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO/c1-17(2,3)19-12-14(11-16-5-4-10-20-16)13-6-8-15(18)9-7-13/h4-10,14,19H,11-12H2,1-3H3
InChIKeyNUFSQXPOPNVTHJ-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.65
Rot. Bonds5

About N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine

N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine (PubChem CID 79437864) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
PubChem CID79437864
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(Cc1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNO/c1-17(2,3)19-12-14(11-16-5-4-10-20-16)13-6-8-15(18)9-7-13/h4-10,14,19H,11-12H2,1-3H3
InChIKeyNUFSQXPOPNVTHJ-UHFFFAOYSA-N
XLogP4.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine 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-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-1-amine
CID 79438464
N-[3-(furan-2-yl)-2-(3-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79416841
N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79442534
N-[3-(furan-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79421182
N-[2-(2-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79448849
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
N-tert-butyl-2-(furan-2-ylmethyl)pentan-1-amine
CID 62998488
N-tert-butyl-2-(4-chlorophenyl)-4-methylsulfonylbutan-1-amine
CID 79438198
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
CID 110618053
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine (CID 79437864) is N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(Cc1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is NUFSQXPOPNVTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-17(2,3)19-12-14(11-16-5-4-10-20-16)13-6-8-15(18)9-7-13/h4-10,14,19H,11-12H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine?
N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 291.82 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79437864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).