(2S)-3-naphthalen-2-ylpropane-1,2-diamine

C13H16N2 — CID 68655255

IUPAC(2S)-3-naphthalen-2-ylpropane-1,2-diamine
SMILESNC[C@@H](N)Cc1ccc2ccccc2c1
InChIInChI=1S/C13H16N2/c14-9-13(15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,14-15H2/t13-/m0/s1
InChIKeyWYVUPWLUZKHJTR-ZDUSSCGKSA-N
MW200.29 g/mol
LogP1.67
Rot. Bonds3

About (2S)-3-naphthalen-2-ylpropane-1,2-diamine

(2S)-3-naphthalen-2-ylpropane-1,2-diamine (PubChem CID 68655255) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is (2S)-3-naphthalen-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-3-naphthalen-2-ylpropane-1,2-diamine
PubChem CID68655255
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name(2S)-3-naphthalen-2-ylpropane-1,2-diamine
SMILESNC[C@@H](N)Cc1ccc2ccccc2c1
InChIInChI=1S/C13H16N2/c14-9-13(15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,14-15H2/t13-/m0/s1
InChIKeyWYVUPWLUZKHJTR-ZDUSSCGKSA-N
XLogP1.67
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-3-naphthalen-2-ylpropane-1,2-diamine 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

1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine
CID 105151939
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622
ethene;3-phenylpropane-1,2-diamine
CID 175295695
1-naphthalen-2-yl-5-thiophen-2-ylpentan-2-amine
CID 63526837
tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate
CID 166000692
3-methyl-1-naphthalen-2-ylhexan-2-amine
CID 61080295
2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine
CID 105118863
1-(2-methylcyclopropyl)-2-naphthalen-2-ylethanamine
CID 61079933
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
pentacen-2-ylmethanamine
CID 162482734
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102

Frequently Asked Questions

What is the IUPAC name of (2S)-3-naphthalen-2-ylpropane-1,2-diamine?
The IUPAC name of (2S)-3-naphthalen-2-ylpropane-1,2-diamine (CID 68655255) is (2S)-3-naphthalen-2-ylpropane-1,2-diamine.
What is the SMILES notation for (2S)-3-naphthalen-2-ylpropane-1,2-diamine?
The canonical SMILES for (2S)-3-naphthalen-2-ylpropane-1,2-diamine is NC[C@@H](N)Cc1ccc2ccccc2c1.
What is the InChIKey of (2S)-3-naphthalen-2-ylpropane-1,2-diamine?
The InChIKey is WYVUPWLUZKHJTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16N2/c14-9-13(15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,14-15H2/t13-/m0/s1.
What are the key properties of (2S)-3-naphthalen-2-ylpropane-1,2-diamine?
(2S)-3-naphthalen-2-ylpropane-1,2-diamine has a molecular weight of 200.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-naphthalen-2-ylpropane-1,2-diamine is sourced from PubChem (CID 68655255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).