2-(cyclopropylmethyl)aniline

C10H13N — CID 55285261

IUPAC2-(cyclopropylmethyl)aniline
SMILESNc1ccccc1CC1CC1
InChIInChI=1S/C10H13N/c11-10-4-2-1-3-9(10)7-8-5-6-8/h1-4,8H,5-7,11H2
InChIKeyJAMNIFGXCWPBTG-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.22
Rot. Bonds2

About 2-(cyclopropylmethyl)aniline

2-(cyclopropylmethyl)aniline (PubChem CID 55285261) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)aniline.

Molecular Properties

Compound Name2-(cyclopropylmethyl)aniline
PubChem CID55285261
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-(cyclopropylmethyl)aniline
SMILESNc1ccccc1CC1CC1
InChIInChI=1S/C10H13N/c11-10-4-2-1-3-9(10)7-8-5-6-8/h1-4,8H,5-7,11H2
InChIKeyJAMNIFGXCWPBTG-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylmethyl)aniline
CID 15634615
2-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 84662847
2-(cyclopropylmethyl)phenol
CID 23014132
2-(piperidin-2-ylmethyl)aniline
CID 84662844
5-bromo-2-(cyclopropylmethyl)aniline
CID 105483648
(2-aminophenyl)methyloxidanium
CID 164683115
2-(1-azabicyclo[2.2.2]octan-2-ylmethyl)aniline
CID 18461001
2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline
CID 163753278
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate
CID 66689754
2-chloro-6-(cyclopropylmethyl)aniline
CID 105439830
2-[[1-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperidin-4-yl]methyl]aniline
CID 162012826

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)aniline?
The IUPAC name of 2-(cyclopropylmethyl)aniline (CID 55285261) is 2-(cyclopropylmethyl)aniline.
What is the SMILES notation for 2-(cyclopropylmethyl)aniline?
The canonical SMILES for 2-(cyclopropylmethyl)aniline is Nc1ccccc1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)aniline?
The InChIKey is JAMNIFGXCWPBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c11-10-4-2-1-3-9(10)7-8-5-6-8/h1-4,8H,5-7,11H2.
What are the key properties of 2-(cyclopropylmethyl)aniline?
2-(cyclopropylmethyl)aniline has a molecular weight of 147.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)aniline is sourced from PubChem (CID 55285261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).