N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine

C17H25Cl2N — CID 115830526

IUPACN-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)cccc1Cl)C1(C)CCCC1
InChIInChI=1S/C17H25Cl2N/c1-3-11-20-16(17(2)9-4-5-10-17)12-13-14(18)7-6-8-15(13)19/h6-8,16,20H,3-5,9-12H2,1-2H3
InChIKeyPFVHUSKDYYOINF-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.48
Rot. Bonds6

About N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine

N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine (PubChem CID 115830526) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
PubChem CID115830526
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC NameN-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)cccc1Cl)C1(C)CCCC1
InChIInChI=1S/C17H25Cl2N/c1-3-11-20-16(17(2)9-4-5-10-17)12-13-14(18)7-6-8-15(13)19/h6-8,16,20H,3-5,9-12H2,1-2H3
InChIKeyPFVHUSKDYYOINF-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,3-dichlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 107311930
N-[2-(3-chlorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106827637
N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 107892244
2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 107312340
N-[2-(furan-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830512
N-[2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106829981
1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
CID 63412621
N-[2-(2,6-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 62600821
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369
1-[2-(2,6-dichlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79060882
N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115826614
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797913

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine (CID 115830526) is N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine is CCCNC(Cc1c(Cl)cccc1Cl)C1(C)CCCC1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine?
The InChIKey is PFVHUSKDYYOINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-3-11-20-16(17(2)9-4-5-10-17)12-13-14(18)7-6-8-15(13)19/h6-8,16,20H,3-5,9-12H2,1-2H3.
What are the key properties of N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine?
N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine has a molecular weight of 314.30 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine is sourced from PubChem (CID 115830526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).