(5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine

C18H18ClNO — CID 82870692

IUPAC(5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
SMILESCCc1oc2ccccc2c1C(N)c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClNO/c1-3-15-17(13-6-4-5-7-16(13)21-15)18(20)14-10-12(19)9-8-11(14)2/h4-10,18H,3,20H2,1-2H3
InChIKeyQNVGQPLNQPOCJA-UHFFFAOYSA-N
MW299.80 g/mol
LogP5.01
Rot. Bonds3

About (5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine

(5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine (PubChem CID 82870692) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
PubChem CID82870692
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name(5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
SMILESCCc1oc2ccccc2c1C(N)c1cc(Cl)ccc1C
InChIInChI=1S/C18H18ClNO/c1-3-15-17(13-6-4-5-7-16(13)21-15)18(20)14-10-12(19)9-8-11(14)2/h4-10,18H,3,20H2,1-2H3
InChIKeyQNVGQPLNQPOCJA-UHFFFAOYSA-N
XLogP5.01
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.80
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-(1-benzofuran-7-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 127048974
(E)-N-(1-benzofuran-3-ylmethyl)-3-(2,4-dichlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137641816
(E)-N-(1-benzofuran-3-ylmethyl)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137657879
(E)-N-(1-benzofuran-3-ylmethyl)-3-(4-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137658868
(E)-N-(1-benzofuran-3-ylmethyl)-3-(3-chlorophenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137645467
3-Benzofuranmethylamine, 2-ethyl-
CID 56186
(5-Chloro-3-phenyl-1-benzofuran-2-yl)methanamine hydrochloride
CID 22763506
4-(1-Benzofuran-2-yl)-1-[(4-chlorophenyl)methyl]piperidine
CID 164626408
1-(1-benzofuran-3-ylmethyl)-4-[(E)-2-(3-chlorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 22914755
(7-Chlorobenzofuran-3-yl)methanamine
CID 65667955
(2-Chloro-1-benzofuran-3-yl)methanamine hydrochloride
CID 134690928
3-[Azido(phenyl)methyl]-5-(4-chlorophenyl)-2-methylfuran
CID 141743073

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
The IUPAC name of (5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine (CID 82870692) is (5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
The canonical SMILES for (5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine is CCc1oc2ccccc2c1C(N)c1cc(Cl)ccc1C.
What is the InChIKey of (5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
The InChIKey is QNVGQPLNQPOCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-3-15-17(13-6-4-5-7-16(13)21-15)18(20)14-10-12(19)9-8-11(14)2/h4-10,18H,3,20H2,1-2H3.
What are the key properties of (5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
(5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine has a molecular weight of 299.80 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 82870692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).