(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine

C13H19ClN2O — CID 82299044

IUPAC(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine
SMILESCOc1cc(C)c(C(N)C2CCCN2)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-8-6-12(17-2)10(14)7-9(8)13(15)11-4-3-5-16-11/h6-7,11,13,16H,3-5,15H2,1-2H3
InChIKeySKWRZSOZCHEHAC-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.41
Rot. Bonds3

About (5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine

(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine (PubChem CID 82299044) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound Name(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine
PubChem CID82299044
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine
SMILESCOc1cc(C)c(C(N)C2CCCN2)cc1Cl
InChIInChI=1S/C13H19ClN2O/c1-8-6-12(17-2)10(14)7-9(8)13(15)11-4-3-5-16-11/h6-7,11,13,16H,3-5,15H2,1-2H3
InChIKeySKWRZSOZCHEHAC-UHFFFAOYSA-N
XLogP2.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82292642
(4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine
CID 116935748
(2-methoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82283349
(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82291674
1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116936006
2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine
CID 82304977
(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine
CID 95446450
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile
CID 116851014
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
CID 116939033
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine?
The IUPAC name of (5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine (CID 82299044) is (5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for (5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine?
The canonical SMILES for (5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine is COc1cc(C)c(C(N)C2CCCN2)cc1Cl.
What is the InChIKey of (5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine?
The InChIKey is SKWRZSOZCHEHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-8-6-12(17-2)10(14)7-9(8)13(15)11-4-3-5-16-11/h6-7,11,13,16H,3-5,15H2,1-2H3.
What are the key properties of (5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine?
(5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine has a molecular weight of 254.76 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methoxy-2-methylphenyl)-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 82299044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).