N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine

C16H14ClNO — CID 78963648

IUPACN-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
SMILESClc1ccccc1CNCc1coc2ccccc12
InChIInChI=1S/C16H14ClNO/c17-15-7-3-1-5-12(15)9-18-10-13-11-19-16-8-4-2-6-14(13)16/h1-8,11,18H,9-10H2
InChIKeyYNWQNHZFSQAZQL-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.38
Rot. Bonds4

About N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine

N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine (PubChem CID 78963648) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
PubChem CID78963648
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
SMILESClc1ccccc1CNCc1coc2ccccc12
InChIInChI=1S/C16H14ClNO/c17-15-7-3-1-5-12(15)9-18-10-13-11-19-16-8-4-2-6-14(13)16/h1-8,11,18H,9-10H2
InChIKeyYNWQNHZFSQAZQL-UHFFFAOYSA-N
XLogP4.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115215675
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N-(1-benzofuran-3-ylmethyl)-3-chloro-2-methylaniline
CID 80701190
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115
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CID 80703405
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
N-(1-benzofuran-3-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine (CID 78963648) is N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine is Clc1ccccc1CNCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine?
The InChIKey is YNWQNHZFSQAZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-15-7-3-1-5-12(15)9-18-10-13-11-19-16-8-4-2-6-14(13)16/h1-8,11,18H,9-10H2.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine?
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine has a molecular weight of 271.75 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine is sourced from PubChem (CID 78963648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).