(3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine

C18H22ClN — CID 115481933

IUPAC(3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2cc(C)cc(Cl)c2)cc1CC
InChIInChI=1S/C18H22ClN/c1-4-13-6-7-15(10-14(13)5-2)18(20)16-8-12(3)9-17(19)11-16/h6-11,18H,4-5,20H2,1-3H3
InChIKeyJXZVUTSUMWWSNA-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.82
Rot. Bonds4

About (3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine

(3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine (PubChem CID 115481933) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine
PubChem CID115481933
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name(3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2cc(C)cc(Cl)c2)cc1CC
InChIInChI=1S/C18H22ClN/c1-4-13-6-7-15(10-14(13)5-2)18(20)16-8-12(3)9-17(19)11-16/h6-11,18H,4-5,20H2,1-3H3
InChIKeyJXZVUTSUMWWSNA-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
CID 107950848
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
CID 115481980
(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
CID 115481951
(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 81323781
(3-chloro-5-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81323717
(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine
CID 81323932
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine
CID 105051625
(3,4-diethylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 115481937
1-(3-chloro-5-methylphenyl)-2-methylbutan-1-amine
CID 105017612
4-[bromo-(4-chlorophenyl)methyl]-1,2-diethylbenzene
CID 113319251
(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine
CID 115482034
bis(3-ethyl-5-methylphenyl)methanamine
CID 141070007

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine?
The IUPAC name of (3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine (CID 115481933) is (3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine?
The canonical SMILES for (3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine is CCc1ccc(C(N)c2cc(C)cc(Cl)c2)cc1CC.
What is the InChIKey of (3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine?
The InChIKey is JXZVUTSUMWWSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-4-13-6-7-15(10-14(13)5-2)18(20)16-8-12(3)9-17(19)11-16/h6-11,18H,4-5,20H2,1-3H3.
What are the key properties of (3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine?
(3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine has a molecular weight of 287.83 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine is sourced from PubChem (CID 115481933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).