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

C9H12ClNO — CID 82281020

IUPAC(5-chloro-4-methoxy-2-methylphenyl)methanamine
SMILESCOc1cc(C)c(CN)cc1Cl
InChIInChI=1S/C9H12ClNO/c1-6-3-9(12-2)8(10)4-7(6)5-11/h3-4H,5,11H2,1-2H3
InChIKeyVFNHMNQFTPFGMW-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.12
Rot. Bonds2

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

(5-chloro-4-methoxy-2-methylphenyl)methanamine (PubChem CID 82281020) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (5-chloro-4-methoxy-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-4-methoxy-2-methylphenyl)methanamine
PubChem CID82281020
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(5-chloro-4-methoxy-2-methylphenyl)methanamine
SMILESCOc1cc(C)c(CN)cc1Cl
InChIInChI=1S/C9H12ClNO/c1-6-3-9(12-2)8(10)4-7(6)5-11/h3-4H,5,11H2,1-2H3
InChIKeyVFNHMNQFTPFGMW-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 70849706
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene
CID 116932143
2-N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131913
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 115244105
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
(4-chloro-2,5-dimethylphenyl)methanamine
CID 22980871
(5-chloro-4-iodo-2-methoxyphenyl)methanamine
CID 86775733

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methoxy-2-methylphenyl)methanamine?
The IUPAC name of (5-chloro-4-methoxy-2-methylphenyl)methanamine (CID 82281020) is (5-chloro-4-methoxy-2-methylphenyl)methanamine.
What is the SMILES notation for (5-chloro-4-methoxy-2-methylphenyl)methanamine?
The canonical SMILES for (5-chloro-4-methoxy-2-methylphenyl)methanamine is COc1cc(C)c(CN)cc1Cl.
What is the InChIKey of (5-chloro-4-methoxy-2-methylphenyl)methanamine?
The InChIKey is VFNHMNQFTPFGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-3-9(12-2)8(10)4-7(6)5-11/h3-4H,5,11H2,1-2H3.
What are the key properties of (5-chloro-4-methoxy-2-methylphenyl)methanamine?
(5-chloro-4-methoxy-2-methylphenyl)methanamine has a molecular weight of 185.65 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methoxy-2-methylphenyl)methanamine is sourced from PubChem (CID 82281020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).