2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol

C17H23NO — CID 116945692

IUPAC2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol
SMILESCc1ccc2cc(C(N)C(CO)C(C)C)ccc2c1
InChIInChI=1S/C17H23NO/c1-11(2)16(10-19)17(18)15-7-6-13-8-12(3)4-5-14(13)9-15/h4-9,11,16-17,19H,10,18H2,1-3H3
InChIKeyNTGUMJIBQYQWST-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.41
Rot. Bonds4

About 2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol

2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol (PubChem CID 116945692) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol
PubChem CID116945692
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol
SMILESCc1ccc2cc(C(N)C(CO)C(C)C)ccc2c1
InChIInChI=1S/C17H23NO/c1-11(2)16(10-19)17(18)15-7-6-13-8-12(3)4-5-14(13)9-15/h4-9,11,16-17,19H,10,18H2,1-3H3
InChIKeyNTGUMJIBQYQWST-UHFFFAOYSA-N
XLogP3.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[amino-(3,4-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945577
2-[amino-(3-bromophenyl)methyl]-3-methylbutan-1-ol
CID 116945676
2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane
CID 143860570
2-[amino-(4-methylsulfanylphenyl)methyl]-3-methylbutan-1-ol
CID 116945647
2-[amino-[4-(2-methylpropyl)phenyl]methyl]-3-methylbutan-1-ol
CID 116945596
2-butan-2-yl-9-methylpentacene
CID 20764702
1-(3-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116945810
1-(6-methylnaphthalen-2-yl)ethanethiol
CID 116866764
2,6-dimethylnaphthalene;propane
CID 142191183
2,4-diamino-4-(6-methylnaphthalen-2-yl)butanoic acid
CID 116942743
2,9-dimethylpentacene
CID 11460950
3-amino-2,2-dimethyl-3-(6-methylnaphthalen-2-yl)propanoic acid
CID 116937993

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol (CID 116945692) is 2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol is Cc1ccc2cc(C(N)C(CO)C(C)C)ccc2c1.
What is the InChIKey of 2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol?
The InChIKey is NTGUMJIBQYQWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-11(2)16(10-19)17(18)15-7-6-13-8-12(3)4-5-14(13)9-15/h4-9,11,16-17,19H,10,18H2,1-3H3.
What are the key properties of 2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol?
2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116945692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).