4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine

C17H25Cl2N — CID 115863120

IUPAC4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine
SMILESCCNC(CCC1CCCC1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H25Cl2N/c1-2-20-16(9-7-13-5-3-4-6-13)12-14-11-15(18)8-10-17(14)19/h8,10-11,13,16,20H,2-7,9,12H2,1H3
InChIKeyOGOLBLOKOHZJIQ-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.48
Rot. Bonds7

About 4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine

4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine (PubChem CID 115863120) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine
PubChem CID115863120
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine
SMILESCCNC(CCC1CCCC1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H25Cl2N/c1-2-20-16(9-7-13-5-3-4-6-13)12-14-11-15(18)8-10-17(14)19/h8,10-11,13,16,20H,2-7,9,12H2,1H3
InChIKeyOGOLBLOKOHZJIQ-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

1-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine
CID 103043472
4-cyclopentyl-N-ethyl-1-phenylbutan-2-amine
CID 63526556
1-(4-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105022589
4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
CID 63527108
4-cyclopentyl-1-(2,5-difluorophenyl)-N-propylbutan-2-amine
CID 115809797
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363
4-cyclohexyl-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 105412616
2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80622619
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105055271
[1-cyclohexyl-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105201940
1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105151513
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine?
The IUPAC name of 4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine (CID 115863120) is 4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine.
What is the SMILES notation for 4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine?
The canonical SMILES for 4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine is CCNC(CCC1CCCC1)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine?
The InChIKey is OGOLBLOKOHZJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-2-20-16(9-7-13-5-3-4-6-13)12-14-11-15(18)8-10-17(14)19/h8,10-11,13,16,20H,2-7,9,12H2,1H3.
What are the key properties of 4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine?
4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine has a molecular weight of 314.30 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(2,5-dichlorophenyl)-N-ethylbutan-2-amine is sourced from PubChem (CID 115863120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).