N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine

C16H23Cl2N — CID 107177443

IUPACN-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)C1CCCC1(C)C
InChIInChI=1S/C16H23Cl2N/c1-4-19-15(13-6-5-9-16(13,2)3)12-10-11(17)7-8-14(12)18/h7-8,10,13,15,19H,4-6,9H2,1-3H3
InChIKeyJQYKDUHESRXFNX-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.47
Rot. Bonds4

About N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine

N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine (PubChem CID 107177443) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
PubChem CID107177443
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)C1CCCC1(C)C
InChIInChI=1S/C16H23Cl2N/c1-4-19-15(13-6-5-9-16(13,2)3)12-10-11(17)7-8-14(12)18/h7-8,10,13,15,19H,4-6,9H2,1-3H3
InChIKeyJQYKDUHESRXFNX-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107177444
N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177374
N-[(2-chloro-4,5-difluorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107476517
(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107181647
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
N-[(4-chloro-3-methoxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107189816
N-[(2,2-dimethylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107188716
N-[(2,2-dimethylcyclopentyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 107177420
N-[(2,2-dimethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107190887
N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107189010
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 107177371
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine (CID 107177443) is N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1Cl)C1CCCC1(C)C.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
The InChIKey is JQYKDUHESRXFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-4-19-15(13-6-5-9-16(13,2)3)12-10-11(17)7-8-14(12)18/h7-8,10,13,15,19H,4-6,9H2,1-3H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine?
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine has a molecular weight of 300.27 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 107177443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).