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

C18H27Cl2N — CID 115863276

IUPACN-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1Cl)C1(CC)CCCC1
InChIInChI=1S/C18H27Cl2N/c1-3-11-21-17(18(4-2)9-5-6-10-18)13-14-12-15(19)7-8-16(14)20/h7-8,12,17,21H,3-6,9-11,13H2,1-2H3
InChIKeyLTHYLUIANTXDDK-UHFFFAOYSA-N
MW328.33 g/mol
LogP5.87
Rot. Bonds7

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

N-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine (PubChem CID 115863276) has the molecular formula C18H27Cl2N and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine
PubChem CID115863276
Molecular FormulaC18H27Cl2N
Molecular Weight328.33 g/mol
Exact Mass327.15
IUPAC NameN-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1Cl)C1(CC)CCCC1
InChIInChI=1S/C18H27Cl2N/c1-3-11-21-17(18(4-2)9-5-6-10-18)13-14-12-15(19)7-8-16(14)20/h7-8,12,17,21H,3-6,9-11,13H2,1-2H3
InChIKeyLTHYLUIANTXDDK-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107189010
3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine
CID 65316933
N-[2-(4-chloro-3-fluorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 107892244
N-[2-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714785
N-[2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80626755
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 105032489
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
1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 116759408
N-[2-(2,6-dichlorophenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115830526
N-[2-(2-chlorophenyl)-1-(1-methoxycyclohexyl)ethyl]propan-1-amine
CID 116763369
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine (CID 115863276) is N-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine is CCCNC(Cc1cc(Cl)ccc1Cl)C1(CC)CCCC1.
What is the InChIKey of N-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine?
The InChIKey is LTHYLUIANTXDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N/c1-3-11-21-17(18(4-2)9-5-6-10-18)13-14-12-15(19)7-8-16(14)20/h7-8,12,17,21H,3-6,9-11,13H2,1-2H3.
What are the key properties of N-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine?
N-[2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethyl]propan-1-amine has a molecular weight of 328.33 g/mol, XLogP of 5.87, 7 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-(1-ethylcyclopentyl)ethyl]propan-1-amine is sourced from PubChem (CID 115863276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).