N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine

C22H24ClNO2 — CID 17211376

IUPACN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
SMILESCOc1ccc(-c2ccc(CNC(C)CCc3ccccc3)o2)cc1Cl
InChIInChI=1S/C22H24ClNO2/c1-16(8-9-17-6-4-3-5-7-17)24-15-19-11-13-21(26-19)18-10-12-22(25-2)20(23)14-18/h3-7,10-14,16,24H,8-9,15H2,1-2H3
InChIKeyRPPVPKWZQAOXSD-UHFFFAOYSA-N
MW369.89 g/mol
LogP5.72
Rot. Bonds8

About N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine

N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine (PubChem CID 17211376) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
PubChem CID17211376
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
SMILESCOc1ccc(-c2ccc(CNC(C)CCc3ccccc3)o2)cc1Cl
InChIInChI=1S/C22H24ClNO2/c1-16(8-9-17-6-4-3-5-7-17)24-15-19-11-13-21(26-19)18-10-12-22(25-2)20(23)14-18/h3-7,10-14,16,24H,8-9,15H2,1-2H3
InChIKeyRPPVPKWZQAOXSD-UHFFFAOYSA-N
XLogP5.72
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.89
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211375
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]-2-phenylethanamine
CID 4725324
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine
CID 17156412
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine
CID 17211422
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211415
N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211441
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-1-phenylethanol;hydrochloride
CID 17333046
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724459
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 163327985

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine (CID 17211376) is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine is COc1ccc(-c2ccc(CNC(C)CCc3ccccc3)o2)cc1Cl.
What is the InChIKey of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine?
The InChIKey is RPPVPKWZQAOXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2/c1-16(8-9-17-6-4-3-5-7-17)24-15-19-11-13-21(26-19)18-10-12-22(25-2)20(23)14-18/h3-7,10-14,16,24H,8-9,15H2,1-2H3.
What are the key properties of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine?
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine has a molecular weight of 369.89 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 17211376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).