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

C14H17N — CID 55254735

IUPAC(1S)-1-naphthalen-2-ylbutan-1-amine
SMILESCCC[C@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C14H17N/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14H,2,5,15H2,1H3/t14-/m0/s1
InChIKeySUKSPGYZTMOVHL-AWEZNQCLSA-N
MW199.30 g/mol
LogP3.64
Rot. Bonds3

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

(1S)-1-naphthalen-2-ylbutan-1-amine (PubChem CID 55254735) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (1S)-1-naphthalen-2-ylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-naphthalen-2-ylbutan-1-amine
PubChem CID55254735
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(1S)-1-naphthalen-2-ylbutan-1-amine
SMILESCCC[C@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C14H17N/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14H,2,5,15H2,1H3/t14-/m0/s1
InChIKeySUKSPGYZTMOVHL-AWEZNQCLSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
CID 171220846
3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine
CID 62716916
1-naphthalen-2-ylbutylhydrazine
CID 105202092
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758
1-quinolin-6-ylbutan-1-amine
CID 63095616
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
3-methyl-1-naphthalen-2-ylbutane-1,3-diamine
CID 116933649
2-ethylsulfinyl-1-naphthalen-2-ylethanamine
CID 64652322
3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine
CID 105141723

Frequently Asked Questions

What is the IUPAC name of (1S)-1-naphthalen-2-ylbutan-1-amine?
The IUPAC name of (1S)-1-naphthalen-2-ylbutan-1-amine (CID 55254735) is (1S)-1-naphthalen-2-ylbutan-1-amine.
What is the SMILES notation for (1S)-1-naphthalen-2-ylbutan-1-amine?
The canonical SMILES for (1S)-1-naphthalen-2-ylbutan-1-amine is CCC[C@H](N)c1ccc2ccccc2c1.
What is the InChIKey of (1S)-1-naphthalen-2-ylbutan-1-amine?
The InChIKey is SUKSPGYZTMOVHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17N/c1-2-5-14(15)13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14H,2,5,15H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-naphthalen-2-ylbutan-1-amine?
(1S)-1-naphthalen-2-ylbutan-1-amine has a molecular weight of 199.30 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-naphthalen-2-ylbutan-1-amine is sourced from PubChem (CID 55254735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).