3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine

C16H21NO — CID 67652493

IUPAC3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine
SMILESCOc1ccc2cccc(C(C)C(C)(C)N)c2c1
InChIInChI=1S/C16H21NO/c1-11(16(2,3)17)14-7-5-6-12-8-9-13(18-4)10-15(12)14/h5-11H,17H2,1-4H3
InChIKeyVQCKRLBSGIKQCH-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.69
Rot. Bonds3

About 3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine

3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine (PubChem CID 67652493) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine
PubChem CID67652493
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine
SMILESCOc1ccc2cccc(C(C)C(C)(C)N)c2c1
InChIInChI=1S/C16H21NO/c1-11(16(2,3)17)14-7-5-6-12-8-9-13(18-4)10-15(12)14/h5-11H,17H2,1-4H3
InChIKeyVQCKRLBSGIKQCH-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
3-(7-methoxynaphthalen-1-yl)butanamide
CID 57236760
1-tert-butyl-7-methoxynaphthalene
CID 608110
2-(7-methoxynaphthalen-1-yl)butanamide
CID 57299738
2-(7-methoxynaphthalen-1-yl)hexanamide
CID 57317749
[1-(7-methoxynaphthalen-1-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105260340
3-(7-methoxynaphthalen-1-yl)heptanamide
CID 57192600
3-(7-methoxynaphthalen-1-yl)octanamide
CID 57205091
1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 115506207
1-(7-methoxynaphthalen-1-yl)adamantane
CID 173329758
N-tert-butyl-7-methoxynaphthalene-1-sulfonamide
CID 14121039
N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide
CID 72702442

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine?
The IUPAC name of 3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine (CID 67652493) is 3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine?
The canonical SMILES for 3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine is COc1ccc2cccc(C(C)C(C)(C)N)c2c1.
What is the InChIKey of 3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine?
The InChIKey is VQCKRLBSGIKQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11(16(2,3)17)14-7-5-6-12-8-9-13(18-4)10-15(12)14/h5-11H,17H2,1-4H3.
What are the key properties of 3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine?
3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 67652493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).