N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine

C14H21NO — CID 60920561

IUPACN-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
SMILESCCC(NCC1CCOC1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-2-14(13-6-4-3-5-7-13)15-10-12-8-9-16-11-12/h3-7,12,14-15H,2,8-11H2,1H3
InChIKeyAMWIHIRWTAHPAZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine

N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine (PubChem CID 60920561) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
PubChem CID60920561
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
SMILESCCC(NCC1CCOC1)c1ccccc1
InChIInChI=1S/C14H21NO/c1-2-14(13-6-4-3-5-7-13)15-10-12-8-9-16-11-12/h3-7,12,14-15H,2,8-11H2,1H3
InChIKeyAMWIHIRWTAHPAZ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 61020486
1-(2,4-dichlorophenyl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 54932273
3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
CID 103896914
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
1-(3-bromophenyl)-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
CID 113424548
N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide
CID 77031802
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine
CID 119153366
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 63727497
(1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine
CID 95291809
N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine
CID 107137812
(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3S)-oxolan-3-yl]-1-phenylethanamine
CID 97334715

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine (CID 60920561) is N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine is CCC(NCC1CCOC1)c1ccccc1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine?
The InChIKey is AMWIHIRWTAHPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-14(13-6-4-3-5-7-13)15-10-12-8-9-16-11-12/h3-7,12,14-15H,2,8-11H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine?
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 60920561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).