(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine

C17H16ClNO — CID 107103118

IUPAC(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(Cl)cccc1C(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H16ClNO/c1-10-5-3-6-12-9-15(20-17(10)12)16(19)13-7-4-8-14(18)11(13)2/h3-9,16H,19H2,1-2H3
InChIKeyOKGMXBVNHCQELV-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.75
Rot. Bonds2

About (3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine

(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 107103118) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID107103118
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(Cl)cccc1C(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H16ClNO/c1-10-5-3-6-12-9-15(20-17(10)12)16(19)13-7-4-8-14(18)11(13)2/h3-9,16H,19H2,1-2H3
InChIKeyOKGMXBVNHCQELV-UHFFFAOYSA-N
XLogP4.75
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 106693197
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(3-chlorothiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045612
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415
[(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103839
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975
(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107946844

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine (CID 107103118) is (3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine is Cc1c(Cl)cccc1C(N)c1cc2cccc(C)c2o1.
What is the InChIKey of (3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is OKGMXBVNHCQELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-10-5-3-6-12-9-15(20-17(10)12)16(19)13-7-4-8-14(18)11(13)2/h3-9,16H,19H2,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine?
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 285.77 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 107103118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).