4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine

C16H25NO — CID 117372064

IUPAC4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine
SMILESCOc1cc(C)c2c(c1CCCCN)CCCC2
InChIInChI=1S/C16H25NO/c1-12-11-16(18-2)15(9-5-6-10-17)14-8-4-3-7-13(12)14/h11H,3-10,17H2,1-2H3
InChIKeyHHBYYANXZAJSHU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.16
Rot. Bonds5

About 4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine

4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine (PubChem CID 117372064) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine
PubChem CID117372064
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine
SMILESCOc1cc(C)c2c(c1CCCCN)CCCC2
InChIInChI=1S/C16H25NO/c1-12-11-16(18-2)15(9-5-6-10-17)14-8-4-3-7-13(12)14/h11H,3-10,17H2,1-2H3
InChIKeyHHBYYANXZAJSHU-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-[(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]hydroxylamine
CID 117316718
1-(4-aminobutyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117339349
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
4-(2-ethyl-3,5-dimethoxyphenyl)butan-1-amine
CID 117347671
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
4-(4-tert-butyl-5-methoxy-2-methylphenyl)butan-1-amine
CID 117377717
3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
CID 10390646
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-1-amine
CID 117361455
O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
CID 117343417
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)butan-1-amine
CID 117486751
4-(5-methoxy-2-methylphenyl)butan-1-amine
CID 66581549
N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201544

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine?
The IUPAC name of 4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine (CID 117372064) is 4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine.
What is the SMILES notation for 4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine?
The canonical SMILES for 4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine is COc1cc(C)c2c(c1CCCCN)CCCC2.
What is the InChIKey of 4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine?
The InChIKey is HHBYYANXZAJSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-11-16(18-2)15(9-5-6-10-17)14-8-4-3-7-13(12)14/h11H,3-10,17H2,1-2H3.
What are the key properties of 4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine?
4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)butan-1-amine is sourced from PubChem (CID 117372064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).