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

C18H18ClNO — CID 63506381

IUPAC(3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
SMILESCCc1oc2ccccc2c1C(N)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H18ClNO/c1-3-15-17(13-6-4-5-7-16(13)21-15)18(20)12-9-8-11(2)14(19)10-12/h4-10,18H,3,20H2,1-2H3
InChIKeyAEXOXWIXPNZVQB-UHFFFAOYSA-N
MW299.80 g/mol
LogP5.01
Rot. Bonds3

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

(3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine (PubChem CID 63506381) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
PubChem CID63506381
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name(3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
SMILESCCc1oc2ccccc2c1C(N)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H18ClNO/c1-3-15-17(13-6-4-5-7-16(13)21-15)18(20)12-9-8-11(2)14(19)10-12/h4-10,18H,3,20H2,1-2H3
InChIKeyAEXOXWIXPNZVQB-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

(5-chloro-2-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
CID 82870692
(2-ethyl-1-benzofuran-3-yl)-(4-iodophenyl)methanamine
CID 63504591
(2,5-dichlorophenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine
CID 63506552
(3-chlorothiophen-2-yl)-(2-ethyl-1-benzofuran-3-yl)methanamine
CID 80644384
2-benzofuran-1-yl-(3-chloro-4-methylphenyl)methanamine
CID 67751843
1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
CID 62956806
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
1-(2-ethyl-1-benzofuran-3-yl)butan-1-amine
CID 62955226
(2-ethyl-1-benzofuran-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475548
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371
1-(4-bromophenyl)-1-(2-ethyl-1-benzofuran-3-yl)-N-methylmethanamine
CID 63504432
(3-chloro-4-fluorophenyl)-(3-methyl-1-benzofuran-2-yl)methanamine
CID 43149692

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine (CID 63506381) is (3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine is CCc1oc2ccccc2c1C(N)c1ccc(C)c(Cl)c1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
The InChIKey is AEXOXWIXPNZVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-3-15-17(13-6-4-5-7-16(13)21-15)18(20)12-9-8-11(2)14(19)10-12/h4-10,18H,3,20H2,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine?
(3-chloro-4-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 (3-chloro-4-methylphenyl)-(2-ethyl-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 63506381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).