(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine

C11H14ClN — CID 93262194

IUPAC(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine
SMILESC[C@H]1C[C@H]1[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN/c1-7-6-10(7)11(13)8-2-4-9(12)5-3-8/h2-5,7,10-11H,6,13H2,1H3/t7-,10+,11+/m0/s1
InChIKeyPAVGZCOWAYRQDC-WHGOUJPWSA-N
MW195.69 g/mol
LogP3.00
Rot. Bonds2

About (S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine

(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine (PubChem CID 93262194) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine.

Molecular Properties

Compound Name(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine
PubChem CID93262194
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine
SMILESC[C@H]1C[C@H]1[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN/c1-7-6-10(7)11(13)8-2-4-9(12)5-3-8/h2-5,7,10-11H,6,13H2,1H3/t7-,10+,11+/m0/s1
InChIKeyPAVGZCOWAYRQDC-WHGOUJPWSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methanamine
CID 99724266
1-chloro-4-[chloro-(2-methylcyclopropyl)methyl]benzene
CID 61083136
(2-methylcyclopropyl)-(6-methyl-3-pyridinyl)methanamine
CID 65422768
furan-3-yl-(2-methylcyclopropyl)methanamine
CID 65420832
(2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine
CID 130512104
(2-methylcyclopropyl)-(2,3,4-trifluorophenyl)methanamine
CID 65422564
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
(4-chlorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
CID 103345442
(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methanamine
CID 43379643
2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938559
(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80529926

Frequently Asked Questions

What is the IUPAC name of (S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine?
The IUPAC name of (S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine (CID 93262194) is (S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine.
What is the SMILES notation for (S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine?
The canonical SMILES for (S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine is C[C@H]1C[C@H]1[C@H](N)c1ccc(Cl)cc1.
What is the InChIKey of (S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine?
The InChIKey is PAVGZCOWAYRQDC-WHGOUJPWSA-N. The full InChI is InChI=1S/C11H14ClN/c1-7-6-10(7)11(13)8-2-4-9(12)5-3-8/h2-5,7,10-11H,6,13H2,1H3/t7-,10+,11+/m0/s1.
What are the key properties of (S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine?
(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine has a molecular weight of 195.69 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine is sourced from PubChem (CID 93262194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).