5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine

C17H20N2 — CID 112647668

IUPAC5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
SMILESCc1cc(N)cc(NC2CCc3ccccc3C2)c1
InChIInChI=1S/C17H20N2/c1-12-8-15(18)11-17(9-12)19-16-7-6-13-4-2-3-5-14(13)10-16/h2-5,8-9,11,16,19H,6-7,10,18H2,1H3
InChIKeyKZPYLVDWEIWVRK-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.55
Rot. Bonds2

About 5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine

5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine (PubChem CID 112647668) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
PubChem CID112647668
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
SMILESCc1cc(N)cc(NC2CCc3ccccc3C2)c1
InChIInChI=1S/C17H20N2/c1-12-8-15(18)11-17(9-12)19-16-7-6-13-4-2-3-5-14(13)10-16/h2-5,8-9,11,16,19H,6-7,10,18H2,1H3
InChIKeyKZPYLVDWEIWVRK-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzene-1,3-diamine
CID 114008155
6-bromo-N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627793
3-N-cyclopropyl-5-methylbenzene-1,3-diamine
CID 112646925
2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid
CID 62317637
N-(3,5-dichloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107572538
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43759178
3-N-cyclooctyl-5-methylbenzene-1,3-diamine
CID 112646949
N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107364341
3-(3-amino-5-methylanilino)cyclobutan-1-ol
CID 112647990
[4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]phenyl]urea
CID 93294306
N-(2,6-dibromophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597579
2-chloro-1-N,1-N-dimethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 63450820

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine?
The IUPAC name of 5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine (CID 112647668) is 5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine?
The canonical SMILES for 5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine is Cc1cc(N)cc(NC2CCc3ccccc3C2)c1.
What is the InChIKey of 5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine?
The InChIKey is KZPYLVDWEIWVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-8-15(18)11-17(9-12)19-16-7-6-13-4-2-3-5-14(13)10-16/h2-5,8-9,11,16,19H,6-7,10,18H2,1H3.
What are the key properties of 5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine?
5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 112647668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).