N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine

C16H23Cl2N — CID 43503316

IUPACN-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
SMILESCCC(NC1CCC(C)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N/c1-3-16(14-9-6-12(17)10-15(14)18)19-13-7-4-11(2)5-8-13/h6,9-11,13,16,19H,3-5,7-8H2,1-2H3
InChIKeyFMOAGYURVFHATM-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.61
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine

N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine (PubChem CID 43503316) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
PubChem CID43503316
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
SMILESCCC(NC1CCC(C)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H23Cl2N/c1-3-16(14-9-6-12(17)10-15(14)18)19-13-7-4-11(2)5-8-13/h6,9-11,13,16,19H,3-5,7-8H2,1-2H3
InChIKeyFMOAGYURVFHATM-UHFFFAOYSA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine
CID 103907260
N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine
CID 81342935
N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine
CID 63463585
N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 65386057
N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 83006822
ethyl 2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetate
CID 54918547
3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one
CID 62093760
3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629197
N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine
CID 114543856
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
2-[1-(2,4-dichlorophenyl)propylamino]propane-1,3-diol
CID 65315602

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine (CID 43503316) is N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine is CCC(NC1CCC(C)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine?
The InChIKey is FMOAGYURVFHATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-3-16(14-9-6-12(17)10-15(14)18)19-13-7-4-11(2)5-8-13/h6,9-11,13,16,19H,3-5,7-8H2,1-2H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine?
N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine has a molecular weight of 300.27 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 43503316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).