N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine

C15H21Cl2N — CID 65317887

IUPACN-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-10-5-11(2)7-14(6-10)18-9-12-8-13(16)3-4-15(12)17/h3-4,8,10-11,14,18H,5-7,9H2,1-2H3
InChIKeyWZZLOJSYOUWLNH-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.91
Rot. Bonds3

About N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine

N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 65317887) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID65317887
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-10-5-11(2)7-14(6-10)18-9-12-8-13(16)3-4-15(12)17/h3-4,8,10-11,14,18H,5-7,9H2,1-2H3
InChIKeyWZZLOJSYOUWLNH-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
N-[(2-chloro-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115732712
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671641
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115908020
N-[(2,5-dichlorophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 65317315
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 106816870
3-chloro-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutan-1-amine
CID 103050005
4-chloro-2-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 43317707
N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 66160263
N-[(2-chloro-4-nitrophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64733850
N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 113336602

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 65317887) is N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(NCc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is WZZLOJSYOUWLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-10-5-11(2)7-14(6-10)18-9-12-8-13(16)3-4-15(12)17/h3-4,8,10-11,14,18H,5-7,9H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 65317887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).