1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine

C16H21N — CID 13202805

IUPAC1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine
SMILESCc1cc2cccc(C(N)C(C)C)c2cc1C
InChIInChI=1S/C16H21N/c1-10(2)16(17)14-7-5-6-13-8-11(3)12(4)9-15(13)14/h5-10,16H,17H2,1-4H3
InChIKeyFUVIOSNVJXXNCG-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.11
Rot. Bonds2

About 1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine

1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine (PubChem CID 13202805) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine
PubChem CID13202805
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine
SMILESCc1cc2cccc(C(N)C(C)C)c2cc1C
InChIInChI=1S/C16H21N/c1-10(2)16(17)14-7-5-6-13-8-11(3)12(4)9-15(13)14/h5-10,16H,17H2,1-4H3
InChIKeyFUVIOSNVJXXNCG-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
2-methyl-1-(5-methylnaphthalen-1-yl)propan-1-amine
CID 130152612
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
1-(difluoromethoxy)-6,7-dimethylnaphthalene
CID 56838953
1-(3-chloro-2-methoxyphenyl)-2-methylpropan-1-amine
CID 83689427
(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 55253692
naphthalen-1-yl-(2,4,5-trimethylphenyl)methanamine
CID 64990309
4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
CID 55275534
2-[(1S)-1-amino-2-methylpropyl]phenol
CID 14939349
1-(8-methylnaphthalen-1-yl)ethanamine
CID 105441726
1-(2,3-dibromophenyl)-2-methylpropan-1-amine
CID 130000512
2-[amino(naphthalen-1-yl)methyl]-3-methylbutanenitrile
CID 116946417

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine (CID 13202805) is 1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine is Cc1cc2cccc(C(N)C(C)C)c2cc1C.
What is the InChIKey of 1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine?
The InChIKey is FUVIOSNVJXXNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-10(2)16(17)14-7-5-6-13-8-11(3)12(4)9-15(13)14/h5-10,16H,17H2,1-4H3.
What are the key properties of 1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine?
1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethylnaphthalen-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 13202805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).