(2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile

C15H21N3O2 — CID 101085422

IUPAC(2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile
SMILESCOc1cccc(C[C@H](N)[C@H](C#N)N2CCOCC2)c1
InChIInChI=1S/C15H21N3O2/c1-19-13-4-2-3-12(9-13)10-14(17)15(11-16)18-5-7-20-8-6-18/h2-4,9,14-15H,5-8,10,17H2,1H3/t14-,15-/m0/s1
InChIKeyNTLBTIWASGNCIP-GJZGRUSLSA-N
MW275.35 g/mol
LogP0.79
Rot. Bonds5

About (2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile

(2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile (PubChem CID 101085422) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile.

Molecular Properties

Compound Name(2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile
PubChem CID101085422
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile
SMILESCOc1cccc(C[C@H](N)[C@H](C#N)N2CCOCC2)c1
InChIInChI=1S/C15H21N3O2/c1-19-13-4-2-3-12(9-13)10-14(17)15(11-16)18-5-7-20-8-6-18/h2-4,9,14-15H,5-8,10,17H2,1H3/t14-,15-/m0/s1
InChIKeyNTLBTIWASGNCIP-GJZGRUSLSA-N
XLogP0.79
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-N,3-dimethyl-3-morpholin-4-ylbutan-2-amine
CID 79050878
1-(3-methoxyphenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987584
2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile
CID 82076974
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
3-(3-methoxyphenoxy)-2-morpholin-4-ylpropan-1-amine
CID 112500977
5-[1-cyano-2-(3-methoxyphenyl)ethyl]furan-2-carboxylic acid
CID 82141134
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748
3-ethoxy-1-(3-methoxyphenyl)butan-2-amine
CID 64541774
1-(3-methoxyphenyl)-3-methylsulfonylbutan-2-amine
CID 113422144
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80685196

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile?
The IUPAC name of (2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile (CID 101085422) is (2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile.
What is the SMILES notation for (2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile?
The canonical SMILES for (2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile is COc1cccc(C[C@H](N)[C@H](C#N)N2CCOCC2)c1.
What is the InChIKey of (2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile?
The InChIKey is NTLBTIWASGNCIP-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-19-13-4-2-3-12(9-13)10-14(17)15(11-16)18-5-7-20-8-6-18/h2-4,9,14-15H,5-8,10,17H2,1H3/t14-,15-/m0/s1.
What are the key properties of (2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile?
(2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile has a molecular weight of 275.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-4-(3-methoxyphenyl)-2-morpholin-4-ylbutanenitrile is sourced from PubChem (CID 101085422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).