N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine

C14H19Cl2N — CID 65080891

IUPACN-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N/c1-10-3-2-4-11(6-5-10)17-12-7-8-13(15)14(16)9-12/h7-11,17H,2-6H2,1H3
InChIKeyZALRJHWFGPGZHT-UHFFFAOYSA-N
MW272.22 g/mol
LogP5.37
Rot. Bonds2

About N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine

N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine (PubChem CID 65080891) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
PubChem CID65080891
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N/c1-10-3-2-4-11(6-5-10)17-12-7-8-13(15)14(16)9-12/h7-11,17H,2-6H2,1H3
InChIKeyZALRJHWFGPGZHT-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.22
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995
N-(3,5-dichloro-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 107572556
2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide
CID 65079977
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724276
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 65080494
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
3,5-dichloro-4-fluoro-N-(4-methylcyclohexyl)aniline
CID 107572849
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
4-(3,4-dichloroanilino)cyclohexane-1-carboxylic acid
CID 112753567
2,2-difluoro-N-(4-methylcycloheptyl)-1,3-benzodioxol-5-amine
CID 65080837
4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine
CID 65081108

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine (CID 65080891) is N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine is CC1CCCC(Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine?
The InChIKey is ZALRJHWFGPGZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-10-3-2-4-11(6-5-10)17-12-7-8-13(15)14(16)9-12/h7-11,17H,2-6H2,1H3.
What are the key properties of N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine?
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine has a molecular weight of 272.22 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65080891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).