(3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium

C15H23ClNO+ — CID 2237741

IUPAC(3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
SMILESCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-11-5-3-4-6-14(11)17-10-12-7-8-15(18-2)13(16)9-12/h7-9,11,14,17H,3-6,10H2,1-2H3/p+1/t11-,14+/m0/s1
InChIKeyMERLVJMFSXTKMC-SMDDNHRTSA-O
MW268.81 g/mol
LogP2.99
Rot. Bonds4

About (3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium

(3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium (PubChem CID 2237741) has the molecular formula C15H23ClNO+ and a molecular weight of 268.81 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
PubChem CID2237741
Molecular FormulaC15H23ClNO+
Molecular Weight268.81 g/mol
Exact Mass268.15
IUPAC Name(3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
SMILESCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-11-5-3-4-6-14(11)17-10-12-7-8-15(18-2)13(16)9-12/h7-9,11,14,17H,3-6,10H2,1-2H3/p+1/t11-,14+/m0/s1
InChIKeyMERLVJMFSXTKMC-SMDDNHRTSA-O
XLogP2.99
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxy-3-methylphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
CID 7071650
(4-methoxy-3-methylphenyl)methyl-[(1S,2S)-2-methylcyclohexyl]azanium
CID 7071651
(3,4-dimethoxyphenyl)methyl-[(1R,2R,3R)-2,3-dimethylcyclohexyl]azanium
CID 11920159
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
CID 2236096
(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methyl-[(1R,2R)-2-methylcyclohexyl]azanium
CID 2236098
[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-[(1R,2S)-2-methylcyclohexyl]azanium
CID 7998819
(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium
CID 4743348
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
CID 65021377
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887
2-(3-chloro-4-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 82088330

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium?
The IUPAC name of (3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium (CID 2237741) is (3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium?
The canonical SMILES for (3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium is COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium?
The InChIKey is MERLVJMFSXTKMC-SMDDNHRTSA-O. The full InChI is InChI=1S/C15H22ClNO/c1-11-5-3-4-6-14(11)17-10-12-7-8-15(18-2)13(16)9-12/h7-9,11,14,17H,3-6,10H2,1-2H3/p+1/t11-,14+/m0/s1.
What are the key properties of (3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium?
(3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium has a molecular weight of 268.81 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium is sourced from PubChem (CID 2237741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).