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

C17H15ClN2O — CID 4723727

IUPACN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESClc1cccc(-c2ccc(CNCc3ccccn3)o2)c1
InChIInChI=1S/C17H15ClN2O/c18-14-5-3-4-13(10-14)17-8-7-16(21-17)12-19-11-15-6-1-2-9-20-15/h1-10,19H,11-12H2
InChIKeyOQHHMIWFZJWKHU-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.28
Rot. Bonds5

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

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine (PubChem CID 4723727) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine
PubChem CID4723727
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine
SMILESClc1cccc(-c2ccc(CNCc3ccccn3)o2)c1
InChIInChI=1S/C17H15ClN2O/c18-14-5-3-4-13(10-14)17-8-7-16(21-17)12-19-11-15-6-1-2-9-20-15/h1-10,19H,11-12H2
InChIKeyOQHHMIWFZJWKHU-UHFFFAOYSA-N
XLogP4.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332192
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 4719779
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17332172
5-[(pyridin-2-ylmethylamino)methyl]furan-2-amine
CID 82344514
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526053
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209837
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]-2H-tetrazol-5-amine;hydrochloride
CID 163328000
(1R)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622797

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine (CID 4723727) is N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine is Clc1cccc(-c2ccc(CNCc3ccccn3)o2)c1.
What is the InChIKey of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is OQHHMIWFZJWKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-14-5-3-4-13(10-14)17-8-7-16(21-17)12-19-11-15-6-1-2-9-20-15/h1-10,19H,11-12H2.
What are the key properties of N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine?
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 298.77 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 4723727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).