N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine

C15H17BrClN — CID 114095730

IUPACN-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESClc1cc(CNC2C3C4CCC(C4)C23)ccc1Br
InChIInChI=1S/C15H17BrClN/c16-11-4-1-8(5-12(11)17)7-18-15-13-9-2-3-10(6-9)14(13)15/h1,4-5,9-10,13-15,18H,2-3,6-7H2
InChIKeyDKPHZLWNGHXHMA-UHFFFAOYSA-N
MW326.67 g/mol
LogP4.24
Rot. Bonds3

About N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine

N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine (PubChem CID 114095730) has the molecular formula C15H17BrClN and a molecular weight of 326.67 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
PubChem CID114095730
Molecular FormulaC15H17BrClN
Molecular Weight326.67 g/mol
Exact Mass325.02
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESClc1cc(CNC2C3C4CCC(C4)C23)ccc1Br
InChIInChI=1S/C15H17BrClN/c16-11-4-1-8(5-12(11)17)7-18-15-13-9-2-3-10(6-9)14(13)15/h1,4-5,9-10,13-15,18H,2-3,6-7H2
InChIKeyDKPHZLWNGHXHMA-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.67
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine 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-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 103581523
N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114076532
2-[4-[(4-bromo-3-chlorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103581535
N-[(4-bromo-3-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103581556
3-[(3-chloro-4-hydroxyphenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069500
3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
CID 114095653
N-[(2-methylphenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114095751
N-[2-(4-aminophenyl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114096308
N-[(4-bromo-3-chlorophenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107302810
N-[(4-bromo-3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103581710
N-[(3-bromo-4-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 83236019
2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide
CID 103581537

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine (CID 114095730) is N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine is Clc1cc(CNC2C3C4CCC(C4)C23)ccc1Br.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine?
The InChIKey is DKPHZLWNGHXHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN/c16-11-4-1-8(5-12(11)17)7-18-15-13-9-2-3-10(6-9)14(13)15/h1,4-5,9-10,13-15,18H,2-3,6-7H2.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine?
N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine has a molecular weight of 326.67 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)methyl]tricyclo[3.2.1.02,4]octan-3-amine is sourced from PubChem (CID 114095730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).