(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine

C15H17NO — CID 171232852

IUPAC(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1ccc(OC)c2ccccc12
InChIInChI=1S/C15H17NO/c1-3-6-14(16)12-9-10-15(17-2)13-8-5-4-7-11(12)13/h3-5,7-10,14H,1,6,16H2,2H3/t14-/m0/s1
InChIKeyNLHVPTSMLQYTET-AWEZNQCLSA-N
MW227.31 g/mol
LogP3.42
Rot. Bonds4

About (1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine

(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine (PubChem CID 171232852) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine
PubChem CID171232852
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1ccc(OC)c2ccccc12
InChIInChI=1S/C15H17NO/c1-3-6-14(16)12-9-10-15(17-2)13-8-5-4-7-11(12)13/h3-5,7-10,14H,1,6,16H2,2H3/t14-/m0/s1
InChIKeyNLHVPTSMLQYTET-AWEZNQCLSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
CID 171213236
(3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanenitrile
CID 171260239
methyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945069
methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 171245129
4-[(1R)-1-aminobut-3-enyl]naphthalen-1-ol;hydrochloride
CID 171208887
(1R)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171201592
(1S)-1-(5-bromo-2-methoxyphenyl)but-3-en-1-amine
CID 171221129
(1R)-1-(4-methoxynaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171213235
(1S)-1-(2-ethoxyphenyl)but-3-en-1-amine
CID 171221750
3-[(1R)-1-aminobut-3-enyl]-4-methoxyphenol
CID 55296324
ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945823
1-[(1S)-1-(4-methoxynaphthalen-1-yl)but-3-enyl]piperazine
CID 171284273

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine?
The IUPAC name of (1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine (CID 171232852) is (1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine.
What is the SMILES notation for (1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine?
The canonical SMILES for (1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine is C=CC[C@H](N)c1ccc(OC)c2ccccc12.
What is the InChIKey of (1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine?
The InChIKey is NLHVPTSMLQYTET-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-6-14(16)12-9-10-15(17-2)13-8-5-4-7-11(12)13/h3-5,7-10,14H,1,6,16H2,2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine?
(1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine has a molecular weight of 227.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxynaphthalen-1-yl)but-3-en-1-amine is sourced from PubChem (CID 171232852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).