3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile

C14H20N2O2 — CID 106159929

IUPAC3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile
SMILESCOCC(CCO)NC(CC#N)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-18-11-13(8-10-17)16-14(7-9-15)12-5-3-2-4-6-12/h2-6,13-14,16-17H,7-8,10-11H2,1H3
InChIKeyOYNPYIVNMGGHKH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.63
Rot. Bonds8

About 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile

3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile (PubChem CID 106159929) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile
PubChem CID106159929
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile
SMILESCOCC(CCO)NC(CC#N)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-18-11-13(8-10-17)16-14(7-9-15)12-5-3-2-4-6-12/h2-6,13-14,16-17H,7-8,10-11H2,1H3
InChIKeyOYNPYIVNMGGHKH-UHFFFAOYSA-N
XLogP1.63
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyethoxyamino)-3-phenylpropanenitrile
CID 82722769
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81390162
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]butane-1,4-diol
CID 15449405
3-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanenitrile
CID 62780401
2-[(2-methoxy-1-phenylethyl)amino]-3-phenylpropan-1-ol
CID 103464251
3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol
CID 106156673
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide
CID 106161073
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81354880
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
3-[(3-methyl-2-propan-2-ylbutyl)amino]-3-phenylpropanenitrile
CID 102905343
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile?
The IUPAC name of 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile (CID 106159929) is 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile is COCC(CCO)NC(CC#N)c1ccccc1.
What is the InChIKey of 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile?
The InChIKey is OYNPYIVNMGGHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-11-13(8-10-17)16-14(7-9-15)12-5-3-2-4-6-12/h2-6,13-14,16-17H,7-8,10-11H2,1H3.
What are the key properties of 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile?
3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile has a molecular weight of 248.33 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-3-phenylpropanenitrile is sourced from PubChem (CID 106159929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).