(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride

C14H15ClN2O — CID 171260616

IUPAC(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride
SMILESCOc1ccc2ccccc2c1[C@H](N)CC#N.Cl
InChIInChI=1S/C14H14N2O.ClH/c1-17-13-7-6-10-4-2-3-5-11(10)14(13)12(16)8-9-15;/h2-7,12H,8,16H2,1H3;1H/t12-;/m1./s1
InChIKeyLKSAQZOWDNKJSU-UTONKHPSSA-N
MW262.74 g/mol
LogP3.18
Rot. Bonds3

About (3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride

(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride (PubChem CID 171260616) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride
PubChem CID171260616
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride
SMILESCOc1ccc2ccccc2c1[C@H](N)CC#N.Cl
InChIInChI=1S/C14H14N2O.ClH/c1-17-13-7-6-10-4-2-3-5-11(10)14(13)12(16)8-9-15;/h2-7,12H,8,16H2,1H3;1H/t12-;/m1./s1
InChIKeyLKSAQZOWDNKJSU-UTONKHPSSA-N
XLogP3.18
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171212938
(3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanenitrile
CID 171260239
(1R)-2-cyclopropyl-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171212937
(1R)-1-(2-methoxynaphthalen-1-yl)pentane-1,5-diamine;hydrochloride
CID 171212923
(1R)-4,4,4-trifluoro-1-(2-methoxynaphthalen-1-yl)butan-1-amine
CID 171212939
(1S)-1-(2-methoxynaphthalen-1-yl)-3-methylbut-3-en-1-amine
CID 171232576
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960
methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
CID 61150374
(R)-cyclopropyl-(2-methoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171212946

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride (CID 171260616) is (3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride is COc1ccc2ccccc2c1[C@H](N)CC#N.Cl.
What is the InChIKey of (3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride?
The InChIKey is LKSAQZOWDNKJSU-UTONKHPSSA-N. The full InChI is InChI=1S/C14H14N2O.ClH/c1-17-13-7-6-10-4-2-3-5-11(10)14(13)12(16)8-9-15;/h2-7,12H,8,16H2,1H3;1H/t12-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride?
(3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride has a molecular weight of 262.74 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-methoxynaphthalen-1-yl)propanenitrile;hydrochloride is sourced from PubChem (CID 171260616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).