2-[amino(cyclopropyl)methyl]-4-methylaniline

C11H16N2 — CID 55282362

IUPAC2-[amino(cyclopropyl)methyl]-4-methylaniline
SMILESCc1ccc(N)c(C(N)C2CC2)c1
InChIInChI=1S/C11H16N2/c1-7-2-5-10(12)9(6-7)11(13)8-3-4-8/h2,5-6,8,11H,3-4,12-13H2,1H3
InChIKeyLQWPRJBHKFYOPS-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.99
Rot. Bonds2

About 2-[amino(cyclopropyl)methyl]-4-methylaniline

2-[amino(cyclopropyl)methyl]-4-methylaniline (PubChem CID 55282362) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-4-methylaniline
PubChem CID55282362
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-[amino(cyclopropyl)methyl]-4-methylaniline
SMILESCc1ccc(N)c(C(N)C2CC2)c1
InChIInChI=1S/C11H16N2/c1-7-2-5-10(12)9(6-7)11(13)8-3-4-8/h2,5-6,8,11H,3-4,12-13H2,1H3
InChIKeyLQWPRJBHKFYOPS-UHFFFAOYSA-N
XLogP1.99
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.99
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

(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
cyclobutyl-(2-fluoro-5-methylphenyl)methanamine
CID 64986676
2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol
CID 130715159
2-[(S)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171233850
2-[(R)-amino(cyclopentyl)methyl]-4-chloroaniline
CID 171214222
2-[(S)-amino(cyclopropyl)methyl]aniline
CID 130654214
(4,4-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65391223
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937234
2-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 130606689
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(S)-(2-bromo-4-methylphenyl)-cyclopentylmethanamine
CID 171221683

Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-4-methylaniline?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-4-methylaniline (CID 55282362) is 2-[amino(cyclopropyl)methyl]-4-methylaniline.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-4-methylaniline?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-4-methylaniline is Cc1ccc(N)c(C(N)C2CC2)c1.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-4-methylaniline?
The InChIKey is LQWPRJBHKFYOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-7-2-5-10(12)9(6-7)11(13)8-3-4-8/h2,5-6,8,11H,3-4,12-13H2,1H3.
What are the key properties of 2-[amino(cyclopropyl)methyl]-4-methylaniline?
2-[amino(cyclopropyl)methyl]-4-methylaniline has a molecular weight of 176.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-4-methylaniline is sourced from PubChem (CID 55282362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).