4-[(cyclopropylmethylamino)methyl]-2-methylaniline

C12H18N2 — CID 61150758

IUPAC4-[(cyclopropylmethylamino)methyl]-2-methylaniline
SMILESCc1cc(CNCC2CC2)ccc1N
InChIInChI=1S/C12H18N2/c1-9-6-11(4-5-12(9)13)8-14-7-10-2-3-10/h4-6,10,14H,2-3,7-8,13H2,1H3
InChIKeyUWBABWIQSPCKJZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.08
Rot. Bonds4

About 4-[(cyclopropylmethylamino)methyl]-2-methylaniline

4-[(cyclopropylmethylamino)methyl]-2-methylaniline (PubChem CID 61150758) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-[(cyclopropylmethylamino)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(cyclopropylmethylamino)methyl]-2-methylaniline
PubChem CID61150758
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-[(cyclopropylmethylamino)methyl]-2-methylaniline
SMILESCc1cc(CNCC2CC2)ccc1N
InChIInChI=1S/C12H18N2/c1-9-6-11(4-5-12(9)13)8-14-7-10-2-3-10/h4-6,10,14H,2-3,7-8,13H2,1H3
InChIKeyUWBABWIQSPCKJZ-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536
N-[(4-bromo-3-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 66472811
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421
4-(cyclopropylmethyl)-2-methylaniline
CID 131504223
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
1-(3-chlorocyclopentyl)-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 106121365
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 106816651
1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride
CID 115592095
4-[(cyclopentylamino)methyl]-2-methylaniline
CID 61149501
N-[(3-bromo-4-methylphenyl)methyl]-1-(thian-4-yl)methanamine
CID 113344536
2-[(cyclopropylmethylamino)methyl]benzene-1,4-diamine
CID 22662370

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylmethylamino)methyl]-2-methylaniline?
The IUPAC name of 4-[(cyclopropylmethylamino)methyl]-2-methylaniline (CID 61150758) is 4-[(cyclopropylmethylamino)methyl]-2-methylaniline.
What is the SMILES notation for 4-[(cyclopropylmethylamino)methyl]-2-methylaniline?
The canonical SMILES for 4-[(cyclopropylmethylamino)methyl]-2-methylaniline is Cc1cc(CNCC2CC2)ccc1N.
What is the InChIKey of 4-[(cyclopropylmethylamino)methyl]-2-methylaniline?
The InChIKey is UWBABWIQSPCKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-6-11(4-5-12(9)13)8-14-7-10-2-3-10/h4-6,10,14H,2-3,7-8,13H2,1H3.
What are the key properties of 4-[(cyclopropylmethylamino)methyl]-2-methylaniline?
4-[(cyclopropylmethylamino)methyl]-2-methylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylmethylamino)methyl]-2-methylaniline is sourced from PubChem (CID 61150758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).