1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone

C15H20ClNO — CID 60679704

IUPAC1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone
SMILESCCCN(CC(=O)c1cccc(Cl)c1)CC1CC1
InChIInChI=1S/C15H20ClNO/c1-2-8-17(10-12-6-7-12)11-15(18)13-4-3-5-14(16)9-13/h3-5,9,12H,2,6-8,10-11H2,1H3
InChIKeyCMFFRNPGUAVPBE-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.64
Rot. Bonds7

About 1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone

1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone (PubChem CID 60679704) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone
PubChem CID60679704
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone
SMILESCCCN(CC(=O)c1cccc(Cl)c1)CC1CC1
InChIInChI=1S/C15H20ClNO/c1-2-8-17(10-12-6-7-12)11-15(18)13-4-3-5-14(16)9-13/h3-5,9,12H,2,6-8,10-11H2,1H3
InChIKeyCMFFRNPGUAVPBE-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649750
1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone
CID 43795533
2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dimethylphenyl)ethanone
CID 60649749
3-[cyclopropylmethyl(propyl)amino]-1-(3-fluorophenyl)propan-1-one
CID 62618352
2-[cyclopropylmethyl(propyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 60649803
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 78821176
2-[cyclopropylmethyl(propyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 60679763
3-chloro-N,N-dipropylbenzamide
CID 669182
2-[cyclopropylmethyl(propyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 60679615
3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 91053808
2-(N-butylanilino)-1-(3-chlorophenyl)ethanone
CID 64585605

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone (CID 60679704) is 1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone is CCCN(CC(=O)c1cccc(Cl)c1)CC1CC1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone?
The InChIKey is CMFFRNPGUAVPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-8-17(10-12-6-7-12)11-15(18)13-4-3-5-14(16)9-13/h3-5,9,12H,2,6-8,10-11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone?
1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone has a molecular weight of 265.78 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanone is sourced from PubChem (CID 60679704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).