N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride

C12H17ClN2O — CID 68925982

IUPACN-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccccc1[C@@H]1C[C@H]1CN.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-8(15)14-12-5-3-2-4-10(12)11-6-9(11)7-13;/h2-5,9,11H,6-7,13H2,1H3,(H,14,15);1H/t9-,11+;/m0./s1
InChIKeyQDTVDASUZYUYSB-QLSWKGBWSA-N
MW240.73 g/mol
LogP2.13
Rot. Bonds3

About N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride

N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride (PubChem CID 68925982) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride
PubChem CID68925982
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccccc1[C@@H]1C[C@H]1CN.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-8(15)14-12-5-3-2-4-10(12)11-6-9(11)7-13;/h2-5,9,11H,6-7,13H2,1H3,(H,14,15);1H/t9-,11+;/m0./s1
InChIKeyQDTVDASUZYUYSB-QLSWKGBWSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride 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

N-[2-[2-(methylaminomethyl)cyclopropyl]phenyl]benzamide
CID 71206970
[(1R,2R)-2-(2-bromophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572752
N-(2-cyclopent-2-en-1-ylphenyl)acetamide
CID 14381648
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
N-[5-amino-6-(cyclopropylmethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 19773373
[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70681343
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
CID 68551320
N-(2-piperidin-2-ylphenyl)acetamide
CID 83404303
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
[2-(2-methylcyclopropyl)phenyl]hydrazine
CID 143335485
N-[2-[2-(1,3-benzodioxol-5-yl)-3,3-dimethylcyclobutyl]phenyl]acetamide
CID 175560279
[(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 94557662

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride (CID 68925982) is N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccccc1[C@@H]1C[C@H]1CN.Cl.
What is the InChIKey of N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride?
The InChIKey is QDTVDASUZYUYSB-QLSWKGBWSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-8(15)14-12-5-3-2-4-10(12)11-6-9(11)7-13;/h2-5,9,11H,6-7,13H2,1H3,(H,14,15);1H/t9-,11+;/m0./s1.
What are the key properties of N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride?
N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 68925982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).