3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine

C19H31NO — CID 63496494

IUPAC3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
SMILESCC(C)CNCC(Oc1ccc2c(c1)CCCC2)C(C)C
InChIInChI=1S/C19H31NO/c1-14(2)12-20-13-19(15(3)4)21-18-10-9-16-7-5-6-8-17(16)11-18/h9-11,14-15,19-20H,5-8,12-13H2,1-4H3
InChIKeyJBCGGNLYMWYAJY-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.21
Rot. Bonds7

About 3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine

3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine (PubChem CID 63496494) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
PubChem CID63496494
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
SMILESCC(C)CNCC(Oc1ccc2c(c1)CCCC2)C(C)C
InChIInChI=1S/C19H31NO/c1-14(2)12-20-13-19(15(3)4)21-18-10-9-16-7-5-6-8-17(16)11-18/h9-11,14-15,19-20H,5-8,12-13H2,1-4H3
InChIKeyJBCGGNLYMWYAJY-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153
3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496310
N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228429
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614
2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63497376
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093056
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
2-(2,3-dihydro-1H-inden-5-yloxy)propanal
CID 126971637
6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 82076236
N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline
CID 62598550
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine (CID 63496494) is 3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine is CC(C)CNCC(Oc1ccc2c(c1)CCCC2)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
The InChIKey is JBCGGNLYMWYAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)12-20-13-19(15(3)4)21-18-10-9-16-7-5-6-8-17(16)11-18/h9-11,14-15,19-20H,5-8,12-13H2,1-4H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine?
3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine is sourced from PubChem (CID 63496494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).