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

C15H21Cl2N — CID 63463585

IUPACN-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine
SMILESCCC(NC1CCCC1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N/c1-3-14(18-15-6-4-5-10(15)2)12-8-7-11(16)9-13(12)17/h7-10,14-15,18H,3-6H2,1-2H3
InChIKeySQKFOKYAQKOAAW-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.22
Rot. Bonds4

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

N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine (PubChem CID 63463585) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine
PubChem CID63463585
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine
SMILESCCC(NC1CCCC1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N/c1-3-14(18-15-6-4-5-10(15)2)12-8-7-11(16)9-13(12)17/h7-10,14-15,18H,3-6H2,1-2H3
InChIKeySQKFOKYAQKOAAW-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
CID 43503316
N-[1-(2,4-dichlorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 83006822
N-[1-(4-chlorophenyl)propyl]-2,3-dimethylcyclohexan-1-amine
CID 43103111
N-[1-(2,5-dichlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 55193924
N-[1-(2,4-dichlorophenyl)propyl]-2-methyloxan-4-amine
CID 103907260
3-[1-(2,4-dichlorophenyl)propylamino]piperidin-2-one
CID 62093760
N-[1-(2,4-dichlorophenyl)propyl]-1,2-dimethylpiperidin-4-amine
CID 81342935
2-methyl-N-[1-(4-methylphenyl)propyl]cyclohexan-1-amine
CID 43079704
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8594454
3-[1-(2,4-dichlorophenyl)propylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629197
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol
CID 65105429
[2-cyclobutyl-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105309988

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine (CID 63463585) is N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine is CCC(NC1CCCC1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine?
The InChIKey is SQKFOKYAQKOAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-3-14(18-15-6-4-5-10(15)2)12-8-7-11(16)9-13(12)17/h7-10,14-15,18H,3-6H2,1-2H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine?
N-[1-(2,4-dichlorophenyl)propyl]-2-methylcyclopentan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 5.22, 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]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 63463585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).