3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine

C16H21NO — CID 103025801

IUPAC3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine
SMILESCOC(C)(C)CC(N)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-16(2,18-3)11-15(17)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,11,17H2,1-3H3
InChIKeyGZTCCHFZDNTZTC-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.65
Rot. Bonds4

About 3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine

3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine (PubChem CID 103025801) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine
PubChem CID103025801
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine
SMILESCOC(C)(C)CC(N)c1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-16(2,18-3)11-15(17)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,11,17H2,1-3H3
InChIKeyGZTCCHFZDNTZTC-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-naphthalen-2-ylbutane-1,3-diamine
CID 116933649
3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 103024842
2-methoxy-2-methyl-1-naphthalen-2-ylpropan-1-amine
CID 79197880
1-(3,4-dichlorophenyl)-3-methoxy-3-methylbutan-1-amine
CID 103024800
2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine
CID 66234275
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine
CID 123529640
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine
CID 142977536
2-(1-methoxycyclobutyl)-1-naphthalen-2-ylethanamine
CID 103559265
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine (CID 103025801) is 3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine is COC(C)(C)CC(N)c1ccc2ccccc2c1.
What is the InChIKey of 3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine?
The InChIKey is GZTCCHFZDNTZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2,18-3)11-15(17)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15H,11,17H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine?
3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine is sourced from PubChem (CID 103025801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).