3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile

C14H18N2O — CID 64533582

IUPAC3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile
SMILESN#CC(CNCC1CCCO1)c1ccccc1
InChIInChI=1S/C14H18N2O/c15-9-13(12-5-2-1-3-6-12)10-16-11-14-7-4-8-17-14/h1-3,5-6,13-14,16H,4,7-8,10-11H2
InChIKeyNQLNCDYMSZARPN-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.06
Rot. Bonds5

About 3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile

3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile (PubChem CID 64533582) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile
PubChem CID64533582
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile
SMILESN#CC(CNCC1CCCO1)c1ccccc1
InChIInChI=1S/C14H18N2O/c15-9-13(12-5-2-1-3-6-12)10-16-11-14-7-4-8-17-14/h1-3,5-6,13-14,16H,4,7-8,10-11H2
InChIKeyNQLNCDYMSZARPN-UHFFFAOYSA-N
XLogP2.06
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
3-(cyclobutylmethylamino)-2-phenylpropanenitrile
CID 64538638
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile
CID 64538451
2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
CID 61005449
3-(2-cyclohexyloxyethylamino)-2-phenylpropanenitrile
CID 64538669
1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1-phenylmethanamine
CID 43196282
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
(2S)-1-carbazol-9-yl-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
CID 782148
4-[[[(2S)-oxolan-2-yl]methylamino]methyl]benzonitrile
CID 1439821
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile?
The IUPAC name of 3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile (CID 64533582) is 3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile?
The canonical SMILES for 3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile is N#CC(CNCC1CCCO1)c1ccccc1.
What is the InChIKey of 3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile?
The InChIKey is NQLNCDYMSZARPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-9-13(12-5-2-1-3-6-12)10-16-11-14-7-4-8-17-14/h1-3,5-6,13-14,16H,4,7-8,10-11H2.
What are the key properties of 3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile?
3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile has a molecular weight of 230.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile is sourced from PubChem (CID 64533582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).