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

C22H24ClNO2 — CID 17156412

IUPACN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1ccc(-c2ccc(OC)c(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C22H24ClNO2/c1-3-7-20(16-8-5-4-6-9-16)24-15-18-11-13-21(26-18)17-10-12-22(25-2)19(23)14-17/h4-6,8-14,20,24H,3,7,15H2,1-2H3
InChIKeyBIRBDWLHXWHKNG-UHFFFAOYSA-N
MW369.89 g/mol
LogP6.24
Rot. Bonds8

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

N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine (PubChem CID 17156412) 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]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine
PubChem CID17156412
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC NameN-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1ccc(-c2ccc(OC)c(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C22H24ClNO2/c1-3-7-20(16-8-5-4-6-9-16)24-15-18-11-13-21(26-18)17-10-12-22(25-2)19(23)14-17/h4-6,8-14,20,24H,3,7,15H2,1-2H3
InChIKeyBIRBDWLHXWHKNG-UHFFFAOYSA-N
XLogP6.24
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 ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156647
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
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
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-phenylethanamine
CID 4725324
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium
CID 7425255
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine
CID 4727079
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
(2S)-2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51987888

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine (CID 17156412) is N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine is CCCC(NCc1ccc(-c2ccc(OC)c(Cl)c2)o1)c1ccccc1.
What is the InChIKey of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine?
The InChIKey is BIRBDWLHXWHKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2/c1-3-7-20(16-8-5-4-6-9-16)24-15-18-11-13-21(26-18)17-10-12-22(25-2)19(23)14-17/h4-6,8-14,20,24H,3,7,15H2,1-2H3.
What are the key properties of N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine?
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine has a molecular weight of 369.89 g/mol, XLogP of 6.24, 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]-1-phenylbutan-1-amine is sourced from PubChem (CID 17156412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).