2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine

C16H14ClNO — CID 67751843

IUPAC2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2occ3ccccc23)cc1Cl
InChIInChI=1S/C16H14ClNO/c1-10-6-7-11(8-14(10)17)15(18)16-13-5-3-2-4-12(13)9-19-16/h2-9,15H,18H2,1H3
InChIKeyUFDAMIMICOCXFZ-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.44
Rot. Bonds2

About 2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine

2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine (PubChem CID 67751843) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine
PubChem CID67751843
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2occ3ccccc23)cc1Cl
InChIInChI=1S/C16H14ClNO/c1-10-6-7-11(8-14(10)17)15(18)16-13-5-3-2-4-12(13)9-19-16/h2-9,15H,18H2,1H3
InChIKeyUFDAMIMICOCXFZ-UHFFFAOYSA-N
XLogP4.44
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
CID 63506381
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
(1R)-1-(2-benzofuran-1-yl)ethanamine
CID 96736222
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103137069
1-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]naphthalene
CID 63518155
(3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine
CID 43149692
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
CID 82876904
(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430120
(3-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 63194485
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
CID 103946952

Frequently Asked Questions

What is the IUPAC name of 2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine?
The IUPAC name of 2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine (CID 67751843) is 2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine.
What is the SMILES notation for 2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine?
The canonical SMILES for 2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2occ3ccccc23)cc1Cl.
What is the InChIKey of 2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine?
The InChIKey is UFDAMIMICOCXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-10-6-7-11(8-14(10)17)15(18)16-13-5-3-2-4-12(13)9-19-16/h2-9,15H,18H2,1H3.
What are the key properties of 2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine?
2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine has a molecular weight of 271.75 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine is sourced from PubChem (CID 67751843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).