(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine

C14H21NO — CID 40654008

IUPAC(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
SMILESC[C@@H](CNC[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-12(13-6-3-2-4-7-13)10-15-11-14-8-5-9-16-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3/t12-,14-/m0/s1
InChIKeyADZFWJZQIDJNIS-JSGCOSHPSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds5

About (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine

(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine (PubChem CID 40654008) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
PubChem CID40654008
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
SMILESC[C@@H](CNC[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-12(13-6-3-2-4-7-13)10-15-11-14-8-5-9-16-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3/t12-,14-/m0/s1
InChIKeyADZFWJZQIDJNIS-JSGCOSHPSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile
CID 64533582
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930
2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63649409
2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636659
(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 129432264
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine?
The IUPAC name of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine (CID 40654008) is (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine?
The canonical SMILES for (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine is C[C@@H](CNC[C@@H]1CCCO1)c1ccccc1.
What is the InChIKey of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine?
The InChIKey is ADZFWJZQIDJNIS-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(13-6-3-2-4-7-13)10-15-11-14-8-5-9-16-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3/t12-,14-/m0/s1.
What are the key properties of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine?
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 40654008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).