1-(oxan-4-yl)-3-phenylpropan-2-amine

C14H21NO — CID 62606455

IUPAC1-(oxan-4-yl)-3-phenylpropan-2-amine
SMILESNC(Cc1ccccc1)CC1CCOCC1
InChIInChI=1S/C14H21NO/c15-14(10-12-4-2-1-3-5-12)11-13-6-8-16-9-7-13/h1-5,13-14H,6-11,15H2
InChIKeyKLIIVQPTSGNRLE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.37
Rot. Bonds4

About 1-(oxan-4-yl)-3-phenylpropan-2-amine

1-(oxan-4-yl)-3-phenylpropan-2-amine (PubChem CID 62606455) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-phenylpropan-2-amine
PubChem CID62606455
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(oxan-4-yl)-3-phenylpropan-2-amine
SMILESNC(Cc1ccccc1)CC1CCOCC1
InChIInChI=1S/C14H21NO/c15-14(10-12-4-2-1-3-5-12)11-13-6-8-16-9-7-13/h1-5,13-14H,6-11,15H2
InChIKeyKLIIVQPTSGNRLE-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-4-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 115846809
[1-(oxan-4-yl)-3-phenylpropan-2-yl]hydrazine
CID 105195157
oxan-4-ylmethyl (2R)-2-amino-3-phenylpropanoate
CID 104902270
1-(oxan-4-yl)-3-phenylpropan-1-amine
CID 63935277
3-(1-bromo-2-phenylethyl)oxolane
CID 63018732
2-(oxan-4-yl)-1-(4-phenyloxan-4-yl)ethanamine
CID 63083238
(2S)-2-amino-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide
CID 119290183
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
1-(3-ethoxycyclobutyl)-3-phenylpropan-2-amine
CID 103164095
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
oxolan-3-ylmethyl (2S)-2-amino-3-phenylpropanoate
CID 54977339
(1R)-1-(oxetan-3-yl)-2-phenylethanamine
CID 162341038

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-phenylpropan-2-amine?
The IUPAC name of 1-(oxan-4-yl)-3-phenylpropan-2-amine (CID 62606455) is 1-(oxan-4-yl)-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)-3-phenylpropan-2-amine?
The canonical SMILES for 1-(oxan-4-yl)-3-phenylpropan-2-amine is NC(Cc1ccccc1)CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-phenylpropan-2-amine?
The InChIKey is KLIIVQPTSGNRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c15-14(10-12-4-2-1-3-5-12)11-13-6-8-16-9-7-13/h1-5,13-14H,6-11,15H2.
What are the key properties of 1-(oxan-4-yl)-3-phenylpropan-2-amine?
1-(oxan-4-yl)-3-phenylpropan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-phenylpropan-2-amine is sourced from PubChem (CID 62606455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).