N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C18H20BrNO — CID 43217439

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(Br)cc1CNc1cccc2c1CCCC2
InChIInChI=1S/C18H20BrNO/c1-21-18-10-9-15(19)11-14(18)12-20-17-8-4-6-13-5-2-3-7-16(13)17/h4,6,8-11,20H,2-3,5,7,12H2,1H3
InChIKeyPQVWMXVVHUOTLW-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.95
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 43217439) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID43217439
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(Br)cc1CNc1cccc2c1CCCC2
InChIInChI=1S/C18H20BrNO/c1-21-18-10-9-15(19)11-14(18)12-20-17-8-4-6-13-5-2-3-7-16(13)17/h4,6,8-11,20H,2-3,5,7,12H2,1H3
InChIKeyPQVWMXVVHUOTLW-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-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

2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 103477881
N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 784383
2-[(5-bromo-2-methoxyphenyl)methylamino]benzonitrile
CID 43244253
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
CID 43088137
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylsulfonylaniline
CID 43724648
N-[(5-bromo-2-methoxyphenyl)methyl]-2,4,5-trichloroaniline
CID 43324015
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 63449111
N-[(5-bromo-2-methoxyphenyl)methyl]isoquinolin-5-amine
CID 43229368
N-[(5-bromo-2-methoxyphenyl)methyl]-3-chloroaniline
CID 43087958
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
CID 107633175
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-dichloroaniline
CID 107787860

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 43217439) is N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine is COc1ccc(Br)cc1CNc1cccc2c1CCCC2.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is PQVWMXVVHUOTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-21-18-10-9-15(19)11-14(18)12-20-17-8-4-6-13-5-2-3-7-16(13)17/h4,6,8-11,20H,2-3,5,7,12H2,1H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 346.27 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43217439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).