4-methoxy-1-naphthalen-1-ylbutan-2-amine

C15H19NO — CID 61079778

IUPAC4-methoxy-1-naphthalen-1-ylbutan-2-amine
SMILESCOCCC(N)Cc1cccc2ccccc12
InChIInChI=1S/C15H19NO/c1-17-10-9-14(16)11-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,14H,9-11,16H2,1H3
InChIKeyOWFBBQWIGAXURA-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.75
Rot. Bonds5

About 4-methoxy-1-naphthalen-1-ylbutan-2-amine

4-methoxy-1-naphthalen-1-ylbutan-2-amine (PubChem CID 61079778) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-methoxy-1-naphthalen-1-ylbutan-2-amine.

Molecular Properties

Compound Name4-methoxy-1-naphthalen-1-ylbutan-2-amine
PubChem CID61079778
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-methoxy-1-naphthalen-1-ylbutan-2-amine
SMILESCOCCC(N)Cc1cccc2ccccc12
InChIInChI=1S/C15H19NO/c1-17-10-9-14(16)11-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,14H,9-11,16H2,1H3
InChIKeyOWFBBQWIGAXURA-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine
CID 102927867
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
CID 102857532
(4S)-4-amino-5-naphthalen-1-ylpentanoic acid
CID 66644807
3-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 79616440
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine
CID 57131383
3-methoxy-1-naphthalen-1-ylpentan-2-amine
CID 116715173
1-(4-methoxybutyl)naphthalene
CID 69278949
3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-naphthalen-1-ylbutan-2-amine?
The IUPAC name of 4-methoxy-1-naphthalen-1-ylbutan-2-amine (CID 61079778) is 4-methoxy-1-naphthalen-1-ylbutan-2-amine.
What is the SMILES notation for 4-methoxy-1-naphthalen-1-ylbutan-2-amine?
The canonical SMILES for 4-methoxy-1-naphthalen-1-ylbutan-2-amine is COCCC(N)Cc1cccc2ccccc12.
What is the InChIKey of 4-methoxy-1-naphthalen-1-ylbutan-2-amine?
The InChIKey is OWFBBQWIGAXURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-17-10-9-14(16)11-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,14H,9-11,16H2,1H3.
What are the key properties of 4-methoxy-1-naphthalen-1-ylbutan-2-amine?
4-methoxy-1-naphthalen-1-ylbutan-2-amine has a molecular weight of 229.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-naphthalen-1-ylbutan-2-amine is sourced from PubChem (CID 61079778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).