2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine

C18H22N2 — CID 14798927

IUPAC2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
SMILESCN(Cc1ccccc1)C1CCc2ccc(N)cc2C1
InChIInChI=1S/C18H22N2/c1-20(13-14-5-3-2-4-6-14)18-10-8-15-7-9-17(19)11-16(15)12-18/h2-7,9,11,18H,8,10,12-13,19H2,1H3
InChIKeyMRIPYRUEDQSJDV-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.26
Rot. Bonds3

About 2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine

2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine (PubChem CID 14798927) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine.

Molecular Properties

Compound Name2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
PubChem CID14798927
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
SMILESCN(Cc1ccccc1)C1CCc2ccc(N)cc2C1
InChIInChI=1S/C18H22N2/c1-20(13-14-5-3-2-4-6-14)18-10-8-15-7-9-17(19)11-16(15)12-18/h2-7,9,11,18H,8,10,12-13,19H2,1H3
InChIKeyMRIPYRUEDQSJDV-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-[(4-aminophenyl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-2,5-diamine
CID 15023223
(2S)-2-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 58289882
1-N-benzyl-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
CID 79742169
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 134795524
4-[[(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]methyl]piperidine-1-carbaldehyde
CID 142248602
(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 15703621
(2R)-2-N,2-N-dimethyl-2,3-dihydro-1H-indene-2,5-diamine
CID 58289987
1-[benzyl(methyl)amino]-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
CID 86952535
7-amino-1,2,3,4-tetrahydronaphthalen-2-ol
CID 57416039
methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 23191735
N-[7-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
CID 54040083
2-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2,7-diamine
CID 21362812

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine?
The IUPAC name of 2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine (CID 14798927) is 2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine.
What is the SMILES notation for 2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine?
The canonical SMILES for 2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine is CN(Cc1ccccc1)C1CCc2ccc(N)cc2C1.
What is the InChIKey of 2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine?
The InChIKey is MRIPYRUEDQSJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-20(13-14-5-3-2-4-6-14)18-10-8-15-7-9-17(19)11-16(15)12-18/h2-7,9,11,18H,8,10,12-13,19H2,1H3.
What are the key properties of 2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine?
2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine has a molecular weight of 266.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-methyl-1,2,3,4-tetrahydronaphthalene-2,7-diamine is sourced from PubChem (CID 14798927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).