1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone

C13H16ClNO — CID 107561237

IUPAC1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone
SMILESCc1ccc(C(=O)CNCC2CC2)cc1Cl
InChIInChI=1S/C13H16ClNO/c1-9-2-5-11(6-12(9)14)13(16)8-15-7-10-3-4-10/h2,5-6,10,15H,3-4,7-8H2,1H3
InChIKeyRXYKXIGIEXADFF-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.83
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone

1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone (PubChem CID 107561237) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone
PubChem CID107561237
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone
SMILESCc1ccc(C(=O)CNCC2CC2)cc1Cl
InChIInChI=1S/C13H16ClNO/c1-9-2-5-11(6-12(9)14)13(16)8-15-7-10-3-4-10/h2,5-6,10,15H,3-4,7-8H2,1H3
InChIKeyRXYKXIGIEXADFF-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-1-(3,4-diethoxyphenyl)ethanone
CID 116557746
2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
CID 106127832
2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107514850
2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone
CID 116557703
[2-(3-chloro-4-methylphenyl)-2-oxoethyl] acetate
CID 146005834
4-bromo-1-(3-chloro-4-methylphenyl)butan-1-one
CID 146005835
2-(cyclopropylmethylamino)-1-(3,5-difluorophenyl)ethanone
CID 116557749
3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 106816651
2-(1-aminocyclobutyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 107561340
3-chloro-4-methyl-N-phenacylbenzamide
CID 64991400

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone (CID 107561237) is 1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone is Cc1ccc(C(=O)CNCC2CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone?
The InChIKey is RXYKXIGIEXADFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9-2-5-11(6-12(9)14)13(16)8-15-7-10-3-4-10/h2,5-6,10,15H,3-4,7-8H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone?
1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone has a molecular weight of 237.73 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-(cyclopropylmethylamino)ethanone is sourced from PubChem (CID 107561237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).