(2-chloro-4-methylphenyl)-cyclopropylmethanamine

C11H14ClN — CID 55268482

IUPAC(2-chloro-4-methylphenyl)-cyclopropylmethanamine
SMILESCc1ccc(C(N)C2CC2)c(Cl)c1
InChIInChI=1S/C11H14ClN/c1-7-2-5-9(10(12)6-7)11(13)8-3-4-8/h2,5-6,8,11H,3-4,13H2,1H3
InChIKeyYAWOONPFLJNJAB-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.06
Rot. Bonds2

About (2-chloro-4-methylphenyl)-cyclopropylmethanamine

(2-chloro-4-methylphenyl)-cyclopropylmethanamine (PubChem CID 55268482) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-cyclopropylmethanamine
PubChem CID55268482
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(2-chloro-4-methylphenyl)-cyclopropylmethanamine
SMILESCc1ccc(C(N)C2CC2)c(Cl)c1
InChIInChI=1S/C11H14ClN/c1-7-2-5-9(10(12)6-7)11(13)8-3-4-8/h2,5-6,8,11H,3-4,13H2,1H3
InChIKeyYAWOONPFLJNJAB-UHFFFAOYSA-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 ≤ 500195.69
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(2-chloro-4-methylphenyl)-(oxolan-3-yl)methanamine
CID 106857610
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
4-[amino(cyclopropyl)methyl]-3-chloroaniline
CID 55268901
(2-chloro-4-methylphenyl)-cyclopropylmethanol
CID 58392529
2-[amino(cyclopropyl)methyl]-4-methylaniline
CID 55282362
(1S)-1-(2-chloro-4-methylphenyl)ethanamine
CID 96956130
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-cyclopropylmethanamine?
The IUPAC name of (2-chloro-4-methylphenyl)-cyclopropylmethanamine (CID 55268482) is (2-chloro-4-methylphenyl)-cyclopropylmethanamine.
What is the SMILES notation for (2-chloro-4-methylphenyl)-cyclopropylmethanamine?
The canonical SMILES for (2-chloro-4-methylphenyl)-cyclopropylmethanamine is Cc1ccc(C(N)C2CC2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-cyclopropylmethanamine?
The InChIKey is YAWOONPFLJNJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-7-2-5-9(10(12)6-7)11(13)8-3-4-8/h2,5-6,8,11H,3-4,13H2,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-cyclopropylmethanamine?
(2-chloro-4-methylphenyl)-cyclopropylmethanamine has a molecular weight of 195.69 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 (2-chloro-4-methylphenyl)-cyclopropylmethanamine is sourced from PubChem (CID 55268482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).