2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine

C10H14ClNO — CID 59994499

IUPAC2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
SMILESCOc1cc(CCN)c(C)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-7-5-9(11)10(13-2)6-8(7)3-4-12/h5-6H,3-4,12H2,1-2H3
InChIKeyNMWLPXHIFQBOHO-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.16
Rot. Bonds3

About 2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine

2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine (PubChem CID 59994499) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
PubChem CID59994499
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
SMILESCOc1cc(CCN)c(C)cc1Cl
InChIInChI=1S/C10H14ClNO/c1-7-5-9(11)10(13-2)6-8(7)3-4-12/h5-6H,3-4,12H2,1-2H3
InChIKeyNMWLPXHIFQBOHO-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
2-(5-bromo-4-chloro-2-methylphenyl)ethanamine
CID 84803605
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
CID 54602364
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(chloromethyl)-N-methylethanamine
CID 115263511
3-(5-chloro-4-methoxy-2-methylphenyl)-N'-methylpropanehydrazide
CID 116846356

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine (CID 59994499) is 2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine is COc1cc(CCN)c(C)cc1Cl.
What is the InChIKey of 2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine?
The InChIKey is NMWLPXHIFQBOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-7-5-9(11)10(13-2)6-8(7)3-4-12/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine?
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine is sourced from PubChem (CID 59994499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).