[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine

C10H11Cl2N — CID 94556817

IUPAC[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine
SMILESNC[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2N/c11-9-2-1-6(4-10(9)12)8-3-7(8)5-13/h1-2,4,7-8H,3,5,13H2/t7-,8-/m1/s1
InChIKeyWGNPNDWGKKHMPM-HTQZYQBOSA-N
MW216.11 g/mol
LogP3.06
Rot. Bonds2

About [(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine

[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine (PubChem CID 94556817) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is [(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine
PubChem CID94556817
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine
SMILESNC[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2N/c11-9-2-1-6(4-10(9)12)8-3-7(8)5-13/h1-2,4,7-8H,3,5,13H2/t7-,8-/m1/s1
InChIKeyWGNPNDWGKKHMPM-HTQZYQBOSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine 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

[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
CID 81010012
2-[2-(3,4-dichlorophenyl)cyclopropyl]ethanol
CID 19770015
[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
CID 94556780
3-(3,4-dichlorophenyl)-2-ethylcyclobutan-1-amine
CID 81415877
[(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]methanamine
CID 67233832
(2-naphthalen-2-ylcyclopropyl)methanamine;hydrochloride
CID 68926193
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanamine
CID 68928221
[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 62709080
[2-(4-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 62704549
[2-(4-tert-butylphenyl)cyclopropyl]methanamine
CID 62708884
[2-(3,4-dichlorophenyl)cyclobutyl]methanethiol
CID 174261126
3-[(2R)-2-(aminomethyl)cyclopropyl]phenol
CID 105432221

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine?
The IUPAC name of [(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine (CID 94556817) is [(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine?
The canonical SMILES for [(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine is NC[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine?
The InChIKey is WGNPNDWGKKHMPM-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H11Cl2N/c11-9-2-1-6(4-10(9)12)8-3-7(8)5-13/h1-2,4,7-8H,3,5,13H2/t7-,8-/m1/s1.
What are the key properties of [(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine?
[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine has a molecular weight of 216.11 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 94556817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).