1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride

C14H22ClNO — CID 115592095

IUPAC1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride
SMILESCOc1c(C)cc(CNCC2CC2)cc1C.Cl
InChIInChI=1S/C14H21NO.ClH/c1-10-6-13(7-11(2)14(10)16-3)9-15-8-12-4-5-12;/h6-7,12,15H,4-5,8-9H2,1-3H3;1H
InChIKeyQWRWKIZJIKDHJY-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.23
Rot. Bonds5

About 1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride

1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride (PubChem CID 115592095) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride
PubChem CID115592095
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride
SMILESCOc1c(C)cc(CNCC2CC2)cc1C.Cl
InChIInChI=1S/C14H21NO.ClH/c1-10-6-13(7-11(2)14(10)16-3)9-15-8-12-4-5-12;/h6-7,12,15H,4-5,8-9H2,1-3H3;1H
InChIKeyQWRWKIZJIKDHJY-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride 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

3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 111467497
1-cyclobutyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
CID 43775196
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63464064
2-(cyclopropylmethylamino)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylacetamide
CID 119766880
4-[(cyclopropylmethylamino)methyl]-2-methylaniline
CID 61150758
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411813
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238057
3-[(4-methoxy-3,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122151
3-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214323
4-[[(4-hydroxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79529930

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride (CID 115592095) is 1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride is COc1c(C)cc(CNCC2CC2)cc1C.Cl.
What is the InChIKey of 1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride?
The InChIKey is QWRWKIZJIKDHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-10-6-13(7-11(2)14(10)16-3)9-15-8-12-4-5-12;/h6-7,12,15H,4-5,8-9H2,1-3H3;1H.
What are the key properties of 1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride?
1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 115592095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).