N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine

C18H16ClNO — CID 4723692

IUPACN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
SMILESClc1cccc(-c2ccc(CNCc3ccccc3)o2)c1
InChIInChI=1S/C18H16ClNO/c19-16-8-4-7-15(11-16)18-10-9-17(21-18)13-20-12-14-5-2-1-3-6-14/h1-11,20H,12-13H2
InChIKeyGKWYMSGQCUVNFW-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.89
Rot. Bonds5

About N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine (PubChem CID 4723692) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
PubChem CID4723692
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
SMILESClc1cccc(-c2ccc(CNCc3ccccc3)o2)c1
InChIInChI=1S/C18H16ClNO/c19-16-8-4-7-15(11-16)18-10-9-17(21-18)13-20-12-14-5-2-1-3-6-14/h1-11,20H,12-13H2
InChIKeyGKWYMSGQCUVNFW-UHFFFAOYSA-N
XLogP4.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332192
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4723727
1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17332172
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209837
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332139
2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol
CID 17156363
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 95003401
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine (CID 4723692) is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine is Clc1cccc(-c2ccc(CNCc3ccccc3)o2)c1.
What is the InChIKey of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine?
The InChIKey is GKWYMSGQCUVNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c19-16-8-4-7-15(11-16)18-10-9-17(21-18)13-20-12-14-5-2-1-3-6-14/h1-11,20H,12-13H2.
What are the key properties of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine?
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine has a molecular weight of 297.79 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 4723692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).