1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine

C16H25NO — CID 117371832

IUPAC1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
SMILESCOc1cc2c(c(C)c1CC(C)(C)N)CCCC2
InChIInChI=1S/C16H25NO/c1-11-13-8-6-5-7-12(13)9-15(18-4)14(11)10-16(2,3)17/h9H,5-8,10,17H2,1-4H3
InChIKeyPZQNIIQNMIVKEB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.16
Rot. Bonds3

About 1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine

1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine (PubChem CID 117371832) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
PubChem CID117371832
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
SMILESCOc1cc2c(c(C)c1CC(C)(C)N)CCCC2
InChIInChI=1S/C16H25NO/c1-11-13-8-6-5-7-12(13)9-15(18-4)14(11)10-16(2,3)17/h9H,5-8,10,17H2,1-4H3
InChIKeyPZQNIIQNMIVKEB-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
CID 117343417
1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117339388
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482
2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 117436649
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117382057
4-(2-amino-2-methylpropyl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117423448
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-2-amine
CID 117339402
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)-2-methylpropan-2-amine
CID 117398186
15,17-dimethoxybicyclo[12.2.2]octadeca-1(16),14,17-triene
CID 15938960
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
2-(2-amino-2-methylpropyl)-3-methoxy-6-methylphenol
CID 117299270

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine (CID 117371832) is 1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine is COc1cc2c(c(C)c1CC(C)(C)N)CCCC2.
What is the InChIKey of 1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine?
The InChIKey is PZQNIIQNMIVKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-13-8-6-5-7-12(13)9-15(18-4)14(11)10-16(2,3)17/h9H,5-8,10,17H2,1-4H3.
What are the key properties of 1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine?
1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 117371832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).