1-(oxolan-2-yl)-2-phenylbutan-2-amine

C14H21NO — CID 62620723

IUPAC1-(oxolan-2-yl)-2-phenylbutan-2-amine
SMILESCCC(N)(CC1CCCO1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-2-14(15,11-13-9-6-10-16-13)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,15H2,1H3
InChIKeyRLNCBICYMAJYTC-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.82
Rot. Bonds4

About 1-(oxolan-2-yl)-2-phenylbutan-2-amine

1-(oxolan-2-yl)-2-phenylbutan-2-amine (PubChem CID 62620723) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-2-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-2-phenylbutan-2-amine
PubChem CID62620723
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(oxolan-2-yl)-2-phenylbutan-2-amine
SMILESCCC(N)(CC1CCCO1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-2-14(15,11-13-9-6-10-16-13)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,15H2,1H3
InChIKeyRLNCBICYMAJYTC-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine
CID 62724879
1-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 65162332
1-N-ethyl-1-N-(oxolan-2-ylmethyl)-2-phenylpropane-1,2-diamine
CID 62487227
2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol
CID 66058100
2-(3-chlorophenyl)-1-(oxolan-2-yl)propan-2-amine
CID 62622554
1-(oxolan-2-yl)-3-phenylhexan-3-ol
CID 65162334
ethyl 2-(aminomethyl)-3-(oxan-2-yl)-2-phenylpropanoate
CID 106509550
1-(2-fluorophenyl)-2-methyl-3-(oxolan-2-yl)propan-2-amine
CID 114833690
2-ethyl-2-(oxolan-2-ylmethyl)butan-1-amine
CID 62724509
2-amino-4-[ethyl(oxolan-2-ylmethyl)amino]-2-phenylbutanenitrile
CID 116692484
1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine
CID 79219919

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-2-phenylbutan-2-amine?
The IUPAC name of 1-(oxolan-2-yl)-2-phenylbutan-2-amine (CID 62620723) is 1-(oxolan-2-yl)-2-phenylbutan-2-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-2-phenylbutan-2-amine?
The canonical SMILES for 1-(oxolan-2-yl)-2-phenylbutan-2-amine is CCC(N)(CC1CCCO1)c1ccccc1.
What is the InChIKey of 1-(oxolan-2-yl)-2-phenylbutan-2-amine?
The InChIKey is RLNCBICYMAJYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-14(15,11-13-9-6-10-16-13)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11,15H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-2-phenylbutan-2-amine?
1-(oxolan-2-yl)-2-phenylbutan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-2-phenylbutan-2-amine is sourced from PubChem (CID 62620723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).