N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine

C15H21Cl2N — CID 65467594

IUPACN-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N/c1-15(2)9-4-5-11(8-10-15)18-14-12(16)6-3-7-13(14)17/h3,6-7,11,18H,4-5,8-10H2,1-2H3
InChIKeyBWXANQUPMFHFAF-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.76
Rot. Bonds2

About N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine

N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65467594) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65467594
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC NameN-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N/c1-15(2)9-4-5-11(8-10-15)18-14-12(16)6-3-7-13(14)17/h3,6-7,11,18H,4-5,8-10H2,1-2H3
InChIKeyBWXANQUPMFHFAF-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-N-cyclohexylaniline
CID 65469917
N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083806
N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083964
N-(3-chloro-4-ethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083347
2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide
CID 65083154
2-[(4,4-dimethylcycloheptyl)amino]-N,N-dimethylbenzamide
CID 65083577
methyl 3-chloro-2-(cyclohexylamino)benzoate
CID 643290
N-[2-[(dimethylamino)methyl]phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083143
4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine
CID 65084187
6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine
CID 114051596
2-chloro-N-cyclobutyl-6-nitroaniline
CID 62416552
N-(3,3-dimethylcyclopentyl)-2,6-difluoroaniline
CID 80692653

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine (CID 65467594) is N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine is CC1(C)CCCC(Nc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is BWXANQUPMFHFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-15(2)9-4-5-11(8-10-15)18-14-12(16)6-3-7-13(14)17/h3,6-7,11,18H,4-5,8-10H2,1-2H3.
What are the key properties of N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine?
N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 286.25 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65467594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).