N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25NO — CID 114013297

IUPACN-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCC(C)Oc1ccc2c(c1)CCCC2NC
InChIInChI=1S/C16H25NO/c1-4-6-12(2)18-14-9-10-15-13(11-14)7-5-8-16(15)17-3/h9-12,16-17H,4-8H2,1-3H3
InChIKeyWKTDHRVZSHBLBY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.85
Rot. Bonds5

About N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 114013297) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID114013297
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCC(C)Oc1ccc2c(c1)CCCC2NC
InChIInChI=1S/C16H25NO/c1-4-6-12(2)18-14-9-10-15-13(11-14)7-5-8-16(15)17-3/h9-12,16-17H,4-8H2,1-3H3
InChIKeyWKTDHRVZSHBLBY-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-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

ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate
CID 64670120
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
7-but-3-en-2-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091134
5-butan-2-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107683888
1-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxymethyl]cyclopentan-1-ol
CID 65210920
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide;hydrochloride
CID 119310232
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 76919283
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpropanamide
CID 62324931
N-ethyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 43574212

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 114013297) is N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine is CCCC(C)Oc1ccc2c(c1)CCCC2NC.
What is the InChIKey of N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WKTDHRVZSHBLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-6-12(2)18-14-9-10-15-13(11-14)7-5-8-16(15)17-3/h9-12,16-17H,4-8H2,1-3H3.
What are the key properties of N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-pentan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 114013297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).