2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one

C16H21Cl2NO — CID 165361660

IUPAC2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)c(Cl)c1)N(C)C1CCCCC1
InChIInChI=1S/C16H21Cl2NO/c1-11(19(2)13-6-4-3-5-7-13)16(20)12-8-9-14(17)15(18)10-12/h8-11,13H,3-7H2,1-2H3
InChIKeyYOJYFWVGILSSIW-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.83
Rot. Bonds4

About 2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one

2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one (PubChem CID 165361660) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one
PubChem CID165361660
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)c(Cl)c1)N(C)C1CCCCC1
InChIInChI=1S/C16H21Cl2NO/c1-11(19(2)13-6-4-3-5-7-13)16(20)12-8-9-14(17)15(18)10-12/h8-11,13H,3-7H2,1-2H3
InChIKeyYOJYFWVGILSSIW-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one (CID 165361660) is 2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one is CC(C(=O)c1ccc(Cl)c(Cl)c1)N(C)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one?
The InChIKey is YOJYFWVGILSSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-11(19(2)13-6-4-3-5-7-13)16(20)12-8-9-14(17)15(18)10-12/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one?
2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one has a molecular weight of 314.26 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-1-(3,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 165361660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).