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

C17H25Cl2N — CID 107177444

IUPACN-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)C1CCCCC1(C)C
InChIInChI=1S/C17H25Cl2N/c1-4-20-16(13-11-12(18)8-9-15(13)19)14-7-5-6-10-17(14,2)3/h8-9,11,14,16,20H,4-7,10H2,1-3H3
InChIKeyMOQPEEBTTJMFKL-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.86
Rot. Bonds4

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

N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 107177444) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
PubChem CID107177444
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC NameN-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)ccc1Cl)C1CCCCC1(C)C
InChIInChI=1S/C17H25Cl2N/c1-4-20-16(13-11-12(18)8-9-15(13)19)14-7-5-6-10-17(14,2)3/h8-9,11,14,16,20H,4-7,10H2,1-3H3
InChIKeyMOQPEEBTTJMFKL-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177443
N-[(2-chloro-4,5-difluorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107476517
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
N-[(2,2-dimethylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107188716
N-[(2,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177374
1-(2,4-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177661
[(2-chloro-5-fluorophenyl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107194986
(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107181647
N-[(4-chloro-3-methoxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107189816
N-[(2,2-dimethylcyclohexyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 107187850
[(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methyl]hydrazine
CID 107193744
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine (CID 107177444) is N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine is CCNC(c1cc(Cl)ccc1Cl)C1CCCCC1(C)C.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is MOQPEEBTTJMFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-4-20-16(13-11-12(18)8-9-15(13)19)14-7-5-6-10-17(14,2)3/h8-9,11,14,16,20H,4-7,10H2,1-3H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine?
N-[(2,5-dichlorophenyl)-(2,2-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 314.30 g/mol, XLogP of 5.86, 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-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 107177444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).