N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine

C18H22N2 — CID 115211829

IUPACN-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(Cc1cccc(N)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H22N2/c1-20(13-14-5-4-8-17(19)11-14)18-10-9-15-6-2-3-7-16(15)12-18/h4-5,8-12H,2-3,6-7,13,19H2,1H3
InChIKeyWKIBIUOTFQCUGS-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.78
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine

N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 115211829) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID115211829
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCN(Cc1cccc(N)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H22N2/c1-20(13-14-5-4-8-17(19)11-14)18-10-9-15-6-2-3-7-16(15)12-18/h4-5,8-12H,2-3,6-7,13,19H2,1H3
InChIKeyWKIBIUOTFQCUGS-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-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-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115212957
3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline
CID 115211886
N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
CID 60877422
N-[3-(aminomethyl)phenyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 117041504
N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 115212433
N-(methoxymethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115258314
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115258329
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
N-(3-chloropropyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115215476
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105413427
[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]methanethiol
CID 115228031

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine (CID 115211829) is N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine is CN(Cc1cccc(N)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is WKIBIUOTFQCUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-20(13-14-5-4-8-17(19)11-14)18-10-9-15-6-2-3-7-16(15)12-18/h4-5,8-12H,2-3,6-7,13,19H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine?
N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115211829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).