N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine

C18H27Cl2N — CID 107311930

IUPACN-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)C1(C)CCCCC1
InChIInChI=1S/C18H27Cl2N/c1-3-12-21-16(18(2)10-5-4-6-11-18)13-14-8-7-9-15(19)17(14)20/h7-9,16,21H,3-6,10-13H2,1-2H3
InChIKeyJASXSPQCRHNSAY-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.87
Rot. Bonds6

About N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine

N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine (PubChem CID 107311930) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
PubChem CID107311930
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC NameN-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)C1(C)CCCCC1
InChIInChI=1S/C18H27Cl2N/c1-3-12-21-16(18(2)10-5-4-6-11-18)13-14-8-7-9-15(19)17(14)20/h7-9,16,21H,3-6,10-13H2,1-2H3
InChIKeyJASXSPQCRHNSAY-UHFFFAOYSA-N
XLogP5.87
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 ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 107312340
N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115830526
N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106827637
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 105032675
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
2-(2,3-dichlorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 107308880
N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 107892244
N-[2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106829981
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
N-[2-(2,3-dichlorophenyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107312289
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 107312354

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine (CID 107311930) is N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(Cl)c1Cl)C1(C)CCCCC1.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
The InChIKey is JASXSPQCRHNSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-3-12-21-16(18(2)10-5-4-6-11-18)13-14-8-7-9-15(19)17(14)20/h7-9,16,21H,3-6,10-13H2,1-2H3.
What are the key properties of N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine?
N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine has a molecular weight of 328.33 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 107311930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).