N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride

C15H22Cl3N — CID 17331622

IUPACN-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
SMILESCl.Clc1ccc(CNC2CCCCCCC2)cc1Cl
InChIInChI=1S/C15H21Cl2N.ClH/c16-14-9-8-12(10-15(14)17)11-18-13-6-4-2-1-3-5-7-13;/h8-10,13,18H,1-7,11H2;1H
InChIKeyCATPPXJYXJXGQH-UHFFFAOYSA-N
MW322.71 g/mol
LogP5.62
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride

N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride (PubChem CID 17331622) has the molecular formula C15H22Cl3N and a molecular weight of 322.71 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
PubChem CID17331622
Molecular FormulaC15H22Cl3N
Molecular Weight322.71 g/mol
Exact Mass321.08
IUPAC NameN-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
SMILESCl.Clc1ccc(CNC2CCCCCCC2)cc1Cl
InChIInChI=1S/C15H21Cl2N.ClH/c16-14-9-8-12(10-15(14)17)11-18-13-6-4-2-1-3-5-7-13;/h8-10,13,18H,1-7,11H2;1H
InChIKeyCATPPXJYXJXGQH-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.71
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
N-[(3-chloro-4-ethoxyphenyl)methyl]cycloheptanamine;hydrochloride
CID 17158351
N-[(4-chloro-3-methoxyphenyl)methyl]cyclooctanamine
CID 21435425
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
2-chloro-5-[(cyclopentylamino)methyl]benzoic acid
CID 117221558
N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757509
N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine
CID 59828914
N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160799
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17057052

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride (CID 17331622) is N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride is Cl.Clc1ccc(CNC2CCCCCCC2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride?
The InChIKey is CATPPXJYXJXGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N.ClH/c16-14-9-8-12(10-15(14)17)11-18-13-6-4-2-1-3-5-7-13;/h8-10,13,18H,1-7,11H2;1H.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride?
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride has a molecular weight of 322.71 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride is sourced from PubChem (CID 17331622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).