N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine

C15H21Cl2N — CID 114543856

IUPACN-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine
SMILESCCC(NC1CCC(C)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2N/c1-3-15(18-12-6-4-10(2)8-12)11-5-7-13(16)14(17)9-11/h5,7,9-10,12,15,18H,3-4,6,8H2,1-2H3
InChIKeyVVJJYBUDYVPPBY-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.22
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine

N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine (PubChem CID 114543856) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine
PubChem CID114543856
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine
SMILESCCC(NC1CCC(C)C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2N/c1-3-15(18-12-6-4-10(2)8-12)11-5-7-13(16)14(17)9-11/h5,7,9-10,12,15,18H,3-4,6,8H2,1-2H3
InChIKeyVVJJYBUDYVPPBY-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-(3,4-dichlorophenyl)propyl]-4-ethylcyclohexan-1-amine
CID 63454246
N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine
CID 63454990
4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide
CID 43791661
N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine
CID 43776540
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
N-[1-(3,4-dichlorophenyl)propyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763489
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
N-[1-(4-chlorophenyl)propyl]-2,4-dimethylcyclohexan-1-amine
CID 63994473
N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
CID 43503316
1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544697
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine (CID 114543856) is N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine is CCC(NC1CCC(C)C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine?
The InChIKey is VVJJYBUDYVPPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-3-15(18-12-6-4-10(2)8-12)11-5-7-13(16)14(17)9-11/h5,7,9-10,12,15,18H,3-4,6,8H2,1-2H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine?
N-[1-(3,4-dichlorophenyl)propyl]-3-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-(3,4-dichlorophenyl)propyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 114543856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).