1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine

C13H19N — CID 43434536

IUPAC1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CC2)cc1C
InChIInChI=1S/C13H19N/c1-10-3-4-13(7-11(10)2)9-14-8-12-5-6-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3
InChIKeyFZROFRZPJATHKT-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.80
Rot. Bonds4

About 1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine

1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine (PubChem CID 43434536) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
PubChem CID43434536
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CC2)cc1C
InChIInChI=1S/C13H19N/c1-10-3-4-13(7-11(10)2)9-14-8-12-5-6-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3
InChIKeyFZROFRZPJATHKT-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
4-[(cyclopropylmethylamino)methyl]-2-methylaniline
CID 61150758
1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 106121365
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 106816651
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421
1-cyclohexyl-N-[(3-iodo-4-methylphenyl)methyl]methanamine
CID 142817012
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclohexylmethanamine
CID 106816234
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209928

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine (CID 43434536) is 1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine is Cc1ccc(CNCC2CC2)cc1C.
What is the InChIKey of 1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine?
The InChIKey is FZROFRZPJATHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-3-4-13(7-11(10)2)9-14-8-12-5-6-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine?
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine has a molecular weight of 189.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine is sourced from PubChem (CID 43434536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).