N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine

C21H22ClNO — CID 17211422

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H22ClNO/c1-16(11-12-17-7-3-2-4-8-17)23-15-18-13-14-21(24-18)19-9-5-6-10-20(19)22/h2-10,13-14,16,23H,11-12,15H2,1H3
InChIKeyONWSOWVVDVQVEP-UHFFFAOYSA-N
MW339.87 g/mol
LogP5.71
Rot. Bonds7

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine (PubChem CID 17211422) has the molecular formula C21H22ClNO and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
PubChem CID17211422
Molecular FormulaC21H22ClNO
Molecular Weight339.87 g/mol
Exact Mass339.14
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H22ClNO/c1-16(11-12-17-7-3-2-4-8-17)23-15-18-13-14-21(24-18)19-9-5-6-10-20(19)22/h2-10,13-14,16,23H,11-12,15H2,1H3
InChIKeyONWSOWVVDVQVEP-UHFFFAOYSA-N
XLogP5.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.87
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211441
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211415
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211431
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
CID 17211376
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211375
(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 66528110
(2S)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 99124959
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211329
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17056556

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine (CID 17211422) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine?
The InChIKey is ONWSOWVVDVQVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO/c1-16(11-12-17-7-3-2-4-8-17)23-15-18-13-14-21(24-18)19-9-5-6-10-20(19)22/h2-10,13-14,16,23H,11-12,15H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine has a molecular weight of 339.87 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 17211422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).