2-[(S)-amino(cyclopropyl)methyl]aniline

C10H14N2 — CID 130654214

IUPAC2-[(S)-amino(cyclopropyl)methyl]aniline
SMILESNc1ccccc1[C@@H](N)C1CC1
InChIInChI=1S/C10H14N2/c11-9-4-2-1-3-8(9)10(12)7-5-6-7/h1-4,7,10H,5-6,11-12H2/t10-/m0/s1
InChIKeyTWYQTYKCXPACCT-JTQLQIEISA-N
MW162.24 g/mol
LogP1.68
Rot. Bonds2

About 2-[(S)-amino(cyclopropyl)methyl]aniline

2-[(S)-amino(cyclopropyl)methyl]aniline (PubChem CID 130654214) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-[(S)-amino(cyclopropyl)methyl]aniline.

Molecular Properties

Compound Name2-[(S)-amino(cyclopropyl)methyl]aniline
PubChem CID130654214
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-[(S)-amino(cyclopropyl)methyl]aniline
SMILESNc1ccccc1[C@@H](N)C1CC1
InChIInChI=1S/C10H14N2/c11-9-4-2-1-3-8(9)10(12)7-5-6-7/h1-4,7,10H,5-6,11-12H2/t10-/m0/s1
InChIKeyTWYQTYKCXPACCT-JTQLQIEISA-N
XLogP1.68
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(S)-amino(cyclopropyl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[amino(cyclopropyl)methyl]benzene-1,2-diamine
CID 55282374
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
cyclopropyl-(2-iodophenyl)methanamine
CID 112684977
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
4-[(S)-amino(cyclopropyl)methyl]-2,3-dichloroaniline
CID 130729519
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
2-[amino(cyclopropyl)methyl]-5-chloroaniline
CID 55270347
2-[amino(cyclopropyl)methyl]-4-methylaniline
CID 55282362
(S)-cyclopropyl-(2-ethenylphenyl)methanamine
CID 131218934
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(cyclopropyl)methyl]aniline?
The IUPAC name of 2-[(S)-amino(cyclopropyl)methyl]aniline (CID 130654214) is 2-[(S)-amino(cyclopropyl)methyl]aniline.
What is the SMILES notation for 2-[(S)-amino(cyclopropyl)methyl]aniline?
The canonical SMILES for 2-[(S)-amino(cyclopropyl)methyl]aniline is Nc1ccccc1[C@@H](N)C1CC1.
What is the InChIKey of 2-[(S)-amino(cyclopropyl)methyl]aniline?
The InChIKey is TWYQTYKCXPACCT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2/c11-9-4-2-1-3-8(9)10(12)7-5-6-7/h1-4,7,10H,5-6,11-12H2/t10-/m0/s1.
What are the key properties of 2-[(S)-amino(cyclopropyl)methyl]aniline?
2-[(S)-amino(cyclopropyl)methyl]aniline has a molecular weight of 162.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(cyclopropyl)methyl]aniline is sourced from PubChem (CID 130654214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).