1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone

C15H20ClNO — CID 62909830

IUPAC1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone
SMILESCCCN(CC1CC1)c1ccc(C(C)=O)cc1Cl
InChIInChI=1S/C15H20ClNO/c1-3-8-17(10-12-4-5-12)15-7-6-13(11(2)18)9-14(15)16/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyIOYBUHSHJJPZCW-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.17
Rot. Bonds6

About 1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone

1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone (PubChem CID 62909830) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone
PubChem CID62909830
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone
SMILESCCCN(CC1CC1)c1ccc(C(C)=O)cc1Cl
InChIInChI=1S/C15H20ClNO/c1-3-8-17(10-12-4-5-12)15-7-6-13(11(2)18)9-14(15)16/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyIOYBUHSHJJPZCW-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[cyclopropylmethyl(propyl)amino]benzaldehyde
CID 81144951
4-(bromomethyl)-2-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 107081391
3-amino-4-[cyclopropylmethyl(propyl)amino]benzamide
CID 43588001
1-[4-[bis(2-ethoxyethyl)amino]-3-chlorophenyl]ethanone
CID 82938130
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzoic acid
CID 63088812
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
2-[cyclopropylmethyl(propyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 60649750
3-chloro-4-[cyclopropyl(propyl)amino]benzoic acid
CID 55179695
1-[3-chloro-4-[ethyl(2-methylbutyl)amino]phenyl]ethanone
CID 79477850
1-[3-chloro-4-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 55226624
2-[cyclopropylmethyl(propyl)amino]-4-methylbenzoic acid
CID 62701337
3-chloro-N-(cyclopropylmethyl)-2-nitro-N-propylaniline
CID 104838880

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone (CID 62909830) is 1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone is CCCN(CC1CC1)c1ccc(C(C)=O)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone?
The InChIKey is IOYBUHSHJJPZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-3-8-17(10-12-4-5-12)15-7-6-13(11(2)18)9-14(15)16/h6-7,9,12H,3-5,8,10H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone?
1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone has a molecular weight of 265.78 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[cyclopropylmethyl(propyl)amino]phenyl]ethanone is sourced from PubChem (CID 62909830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).