(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine

C14H21NO — CID 65163698

IUPAC(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
SMILESC[C@H](NCCC1CCCO1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-12(13-6-3-2-4-7-13)15-10-9-14-8-5-11-16-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3/t12-,14?/m0/s1
InChIKeyLYDJKKGUKWOYSW-NBFOIZRFSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds5

About (1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine

(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine (PubChem CID 65163698) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
PubChem CID65163698
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
SMILESC[C@H](NCCC1CCCO1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-12(13-6-3-2-4-7-13)15-10-9-14-8-5-11-16-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3/t12-,14?/m0/s1
InChIKeyLYDJKKGUKWOYSW-NBFOIZRFSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958
N-[2-(oxolan-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62089839
2-methoxy-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 102977996
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
[4-[1-[2-(oxolan-2-yl)ethylamino]ethyl]phenyl]urea
CID 61039249
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81347586
2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 61039844
1-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61039102
(1S,2S)-1-morpholin-4-yl-N-[2-[(2R)-oxolan-2-yl]ethyl]-1-phenylpropan-2-amine
CID 100894383

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine (CID 65163698) is (1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine is C[C@H](NCCC1CCCO1)c1ccccc1.
What is the InChIKey of (1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine?
The InChIKey is LYDJKKGUKWOYSW-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(13-6-3-2-4-7-13)15-10-9-14-8-5-11-16-14/h2-4,6-7,12,14-15H,5,8-11H2,1H3/t12-,14?/m0/s1.
What are the key properties of (1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine?
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 65163698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).