2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide

C14H19ClN2O — CID 67148598

IUPAC2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(Cl)c(CNC2CC2)c1
InChIInChI=1S/C14H19ClN2O/c1-2-16-14(18)8-10-3-6-13(15)11(7-10)9-17-12-4-5-12/h3,6-7,12,17H,2,4-5,8-9H2,1H3,(H,16,18)
InChIKeyTUMKFUCPGLNZKC-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.27
Rot. Bonds6

About 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide

2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide (PubChem CID 67148598) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide
PubChem CID67148598
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(Cl)c(CNC2CC2)c1
InChIInChI=1S/C14H19ClN2O/c1-2-16-14(18)8-10-3-6-13(15)11(7-10)9-17-12-4-5-12/h3,6-7,12,17H,2,4-5,8-9H2,1H3,(H,16,18)
InChIKeyTUMKFUCPGLNZKC-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-3-[(cyclopropylamino)methyl]phenyl]methyl]-3,3,3-trifluoropropanamide
CID 67148430
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide
CID 81144235
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl N-methylcarbamate
CID 67148684
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]ethyl-cyclopropylcarbamic acid
CID 143519113
tert-butyl N-[[4-chloro-3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcarbamate
CID 68506750
N-[[5-(3-aminopropyl)-2-chlorophenyl]methyl]cyclopropanamine
CID 174738442
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
N-[2-[3,4-dichloro-5-[(cyclopropylamino)methyl]phenyl]ethyl]propanamide
CID 58170987
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
N-[[4-chloro-3-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 67479328
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide?
The IUPAC name of 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide (CID 67148598) is 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide?
The canonical SMILES for 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide is CCNC(=O)Cc1ccc(Cl)c(CNC2CC2)c1.
What is the InChIKey of 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide?
The InChIKey is TUMKFUCPGLNZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-16-14(18)8-10-3-6-13(15)11(7-10)9-17-12-4-5-12/h3,6-7,12,17H,2,4-5,8-9H2,1H3,(H,16,18).
What are the key properties of 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide?
2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide has a molecular weight of 266.77 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-[(cyclopropylamino)methyl]phenyl]-N-ethylacetamide is sourced from PubChem (CID 67148598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).