N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine

C22H24ClNO — CID 2927683

IUPACN-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine
SMILESCC(NCCC(Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO/c1-17(19-9-11-21(23)12-10-19)24-14-13-20(22-8-5-15-25-22)16-18-6-3-2-4-7-18/h2-12,15,17,20,24H,13-14,16H2,1H3
InChIKeyWMXGLVQQFHUUQE-UHFFFAOYSA-N
MW353.89 g/mol
LogP6.00
Rot. Bonds8

About N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine

N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine (PubChem CID 2927683) has the molecular formula C22H24ClNO and a molecular weight of 353.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine
PubChem CID2927683
Molecular FormulaC22H24ClNO
Molecular Weight353.89 g/mol
Exact Mass353.15
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine
SMILESCC(NCCC(Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClNO/c1-17(19-9-11-21(23)12-10-19)24-14-13-20(22-8-5-15-25-22)16-18-6-3-2-4-7-18/h2-12,15,17,20,24H,13-14,16H2,1H3
InChIKeyWMXGLVQQFHUUQE-UHFFFAOYSA-N
XLogP6.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.89
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine (CID 2927683) is N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine is CC(NCCC(Cc1ccccc1)c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine?
The InChIKey is WMXGLVQQFHUUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO/c1-17(19-9-11-21(23)12-10-19)24-14-13-20(22-8-5-15-25-22)16-18-6-3-2-4-7-18/h2-12,15,17,20,24H,13-14,16H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine?
N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine has a molecular weight of 353.89 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 2927683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).