N-(cyclopropylmethyl)-3-methylaniline

C11H15N — CID 43560243

IUPACN-(cyclopropylmethyl)-3-methylaniline
SMILESCc1cccc(NCC2CC2)c1
InChIInChI=1S/C11H15N/c1-9-3-2-4-11(7-9)12-8-10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3
InChIKeyGDZXVGSLLDHBJU-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.82
Rot. Bonds3

About N-(cyclopropylmethyl)-3-methylaniline

N-(cyclopropylmethyl)-3-methylaniline (PubChem CID 43560243) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-methylaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-methylaniline
PubChem CID43560243
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(cyclopropylmethyl)-3-methylaniline
SMILESCc1cccc(NCC2CC2)c1
InChIInChI=1S/C11H15N/c1-9-3-2-4-11(7-9)12-8-10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3
InChIKeyGDZXVGSLLDHBJU-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
N-(azetidin-3-ylmethyl)-3-methylaniline
CID 84655686
3-tert-butyl-N-(cyclopropylmethyl)aniline
CID 139034986
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859
N-(2-cyclohexylethyl)-3-methylaniline
CID 20699944
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561610
N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687184
N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
CID 143136691
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-methylaniline?
The IUPAC name of N-(cyclopropylmethyl)-3-methylaniline (CID 43560243) is N-(cyclopropylmethyl)-3-methylaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-3-methylaniline?
The canonical SMILES for N-(cyclopropylmethyl)-3-methylaniline is Cc1cccc(NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-methylaniline?
The InChIKey is GDZXVGSLLDHBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-3-2-4-11(7-9)12-8-10-5-6-10/h2-4,7,10,12H,5-6,8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-methylaniline?
N-(cyclopropylmethyl)-3-methylaniline has a molecular weight of 161.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-methylaniline is sourced from PubChem (CID 43560243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).