N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine

C18H27Cl2N — CID 107189010

IUPACN-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1Cl)C1CCCC1(C)C
InChIInChI=1S/C18H27Cl2N/c1-4-10-21-17(15-6-5-9-18(15,2)3)12-13-11-14(19)7-8-16(13)20/h7-8,11,15,17,21H,4-6,9-10,12H2,1-3H3
InChIKeyUUPGXVHCCQJBEN-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.73
Rot. Bonds6

About N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine

N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine (PubChem CID 107189010) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
PubChem CID107189010
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC NameN-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1Cl)C1CCCC1(C)C
InChIInChI=1S/C18H27Cl2N/c1-4-10-21-17(15-6-5-9-18(15,2)3)12-13-11-14(19)7-8-16(13)20/h7-8,11,15,17,21H,4-6,9-10,12H2,1-3H3
InChIKeyUUPGXVHCCQJBEN-UHFFFAOYSA-N
XLogP5.73
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 ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107191840
2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107189012
N-[2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80626755
N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 107179564
N-[1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 107188294
N-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine
CID 115863276
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177443
2-(2-chloro-4-fluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107188245
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 107179519
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954
[2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]hydrazine
CID 107193657

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine (CID 107189010) is N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine is CCCNC(Cc1cc(Cl)ccc1Cl)C1CCCC1(C)C.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine?
The InChIKey is UUPGXVHCCQJBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-4-10-21-17(15-6-5-9-18(15,2)3)12-13-11-14(19)7-8-16(13)20/h7-8,11,15,17,21H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine?
N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine has a molecular weight of 328.33 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine is sourced from PubChem (CID 107189010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).