(2S)-1-naphthalen-1-ylbutan-2-amine

C14H17N — CID 178163209

IUPAC(2S)-1-naphthalen-1-ylbutan-2-amine
SMILESCC[C@H](N)Cc1cccc2ccccc12
InChIInChI=1S/C14H17N/c1-2-13(15)10-12-8-5-7-11-6-3-4-9-14(11)12/h3-9,13H,2,10,15H2,1H3/t13-/m0/s1
InChIKeyIUILUWCKVUMDJB-ZDUSSCGKSA-N
MW199.30 g/mol
LogP3.12
Rot. Bonds3

About (2S)-1-naphthalen-1-ylbutan-2-amine

(2S)-1-naphthalen-1-ylbutan-2-amine (PubChem CID 178163209) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (2S)-1-naphthalen-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-naphthalen-1-ylbutan-2-amine
PubChem CID178163209
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(2S)-1-naphthalen-1-ylbutan-2-amine
SMILESCC[C@H](N)Cc1cccc2ccccc12
InChIInChI=1S/C14H17N/c1-2-13(15)10-12-8-5-7-11-6-3-4-9-14(11)12/h3-9,13H,2,10,15H2,1H3/t13-/m0/s1
InChIKeyIUILUWCKVUMDJB-ZDUSSCGKSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
1-methoxy-3-naphthalen-1-ylpropan-2-amine
CID 62603537
1-naphthalen-1-yl-3-propylsulfanylpropan-2-amine
CID 65128492
4-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 61079778
1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 66397584
3-methoxy-1-naphthalen-1-ylpentan-2-amine
CID 116715173
3,3-dimethyl-1-naphthalen-1-ylpentan-2-amine
CID 62678617
3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054
1-[2-(chloromethyl)butyl]naphthalene
CID 66034781
1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
CID 112615535
3-methyl-1-naphthalen-1-ylhexan-2-amine
CID 61078654
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613

Frequently Asked Questions

What is the IUPAC name of (2S)-1-naphthalen-1-ylbutan-2-amine?
The IUPAC name of (2S)-1-naphthalen-1-ylbutan-2-amine (CID 178163209) is (2S)-1-naphthalen-1-ylbutan-2-amine.
What is the SMILES notation for (2S)-1-naphthalen-1-ylbutan-2-amine?
The canonical SMILES for (2S)-1-naphthalen-1-ylbutan-2-amine is CC[C@H](N)Cc1cccc2ccccc12.
What is the InChIKey of (2S)-1-naphthalen-1-ylbutan-2-amine?
The InChIKey is IUILUWCKVUMDJB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N/c1-2-13(15)10-12-8-5-7-11-6-3-4-9-14(11)12/h3-9,13H,2,10,15H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-naphthalen-1-ylbutan-2-amine?
(2S)-1-naphthalen-1-ylbutan-2-amine has a molecular weight of 199.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-naphthalen-1-ylbutan-2-amine is sourced from PubChem (CID 178163209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).