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

C18H27Cl2N — CID 63454990

IUPACN-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(CC)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H27Cl2N/c1-3-5-13-6-9-15(10-7-13)21-18(4-2)14-8-11-16(19)17(20)12-14/h8,11-13,15,18,21H,3-7,9-10H2,1-2H3
InChIKeyCHHIRJFJFQOWQY-UHFFFAOYSA-N
MW328.33 g/mol
LogP6.39
Rot. Bonds6

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

N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine (PubChem CID 63454990) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine
PubChem CID63454990
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(CC)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H27Cl2N/c1-3-5-13-6-9-15(10-7-13)21-18(4-2)14-8-11-16(19)17(20)12-14/h8,11-13,15,18,21H,3-7,9-10H2,1-2H3
InChIKeyCHHIRJFJFQOWQY-UHFFFAOYSA-N
XLogP6.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.33
LogP ≤ 56.39
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]-3-methylcyclopentan-1-amine
CID 114543856
4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide
CID 43791661
N-(1-cyclopropylethyl)-1-(3,4-dichlorophenyl)propan-1-amine
CID 43776540
N-[1-(4-bromophenyl)propyl]-4-ethylcyclohexan-1-amine
CID 43223922
N-[(1R)-1-(4-bromophenyl)propyl]cyclopropanamine
CID 30081048
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
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-[(1S)-1-(3-chlorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 81365897

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine (CID 63454990) is N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NC(CC)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine?
The InChIKey is CHHIRJFJFQOWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-3-5-13-6-9-15(10-7-13)21-18(4-2)14-8-11-16(19)17(20)12-14/h8,11-13,15,18,21H,3-7,9-10H2,1-2H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine?
N-[1-(3,4-dichlorophenyl)propyl]-4-propylcyclohexan-1-amine has a molecular weight of 328.33 g/mol, XLogP of 6.39, 6 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]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63454990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).