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

C15H19NO — CID 79616440

IUPAC3-methoxy-1-naphthalen-1-ylbutan-2-amine
SMILESCOC(C)C(N)Cc1cccc2ccccc12
InChIInChI=1S/C15H19NO/c1-11(17-2)15(16)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11,15H,10,16H2,1-2H3
InChIKeyPFDFZBMNUJSMSY-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.74
Rot. Bonds4

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

3-methoxy-1-naphthalen-1-ylbutan-2-amine (PubChem CID 79616440) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-methoxy-1-naphthalen-1-ylbutan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-naphthalen-1-ylbutan-2-amine
PubChem CID79616440
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-methoxy-1-naphthalen-1-ylbutan-2-amine
SMILESCOC(C)C(N)Cc1cccc2ccccc12
InChIInChI=1S/C15H19NO/c1-11(17-2)15(16)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11,15H,10,16H2,1-2H3
InChIKeyPFDFZBMNUJSMSY-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-1-naphthalen-1-ylbutan-2-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

3-methoxy-1-naphthalen-1-ylpentan-2-amine
CID 116715173
1-cyclopropyl-1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 116721971
3-methyl-1-naphthalen-1-ylhexan-2-amine
CID 61078654
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
4-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 61079778
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
(2S)-1-naphthalen-1-ylpropane-2-sulfonamide
CID 125482966
1-(2-chloropropyl)naphthalene
CID 12809422
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
3-methoxy-N,4-dimethyl-1-naphthalen-1-ylpentan-2-amine
CID 116720031

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-naphthalen-1-ylbutan-2-amine?
The IUPAC name of 3-methoxy-1-naphthalen-1-ylbutan-2-amine (CID 79616440) is 3-methoxy-1-naphthalen-1-ylbutan-2-amine.
What is the SMILES notation for 3-methoxy-1-naphthalen-1-ylbutan-2-amine?
The canonical SMILES for 3-methoxy-1-naphthalen-1-ylbutan-2-amine is COC(C)C(N)Cc1cccc2ccccc12.
What is the InChIKey of 3-methoxy-1-naphthalen-1-ylbutan-2-amine?
The InChIKey is PFDFZBMNUJSMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(17-2)15(16)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11,15H,10,16H2,1-2H3.
What are the key properties of 3-methoxy-1-naphthalen-1-ylbutan-2-amine?
3-methoxy-1-naphthalen-1-ylbutan-2-amine has a molecular weight of 229.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-naphthalen-1-ylbutan-2-amine is sourced from PubChem (CID 79616440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).