N-benzyl-1-(oxolan-2-yl)propan-2-amine

C14H21NO — CID 122156962

IUPACN-benzyl-1-(oxolan-2-yl)propan-2-amine
SMILESCC(CC1CCCO1)NCc1ccccc1
InChIInChI=1S/C14H21NO/c1-12(10-14-8-5-9-16-14)15-11-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKeyMTVXFLVYHHKCFY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.73
Rot. Bonds5

About N-benzyl-1-(oxolan-2-yl)propan-2-amine

N-benzyl-1-(oxolan-2-yl)propan-2-amine (PubChem CID 122156962) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-benzyl-1-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-benzyl-1-(oxolan-2-yl)propan-2-amine
PubChem CID122156962
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-benzyl-1-(oxolan-2-yl)propan-2-amine
SMILESCC(CC1CCCO1)NCc1ccccc1
InChIInChI=1S/C14H21NO/c1-12(10-14-8-5-9-16-14)15-11-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3
InChIKeyMTVXFLVYHHKCFY-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
(2R)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-1-[(2R)-oxolan-2-yl]propan-2-amine
CID 99815216
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
N-[[3-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62436952
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115722687
N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
N-[(2-methylcyclopropyl)methyl]-1-(oxolan-2-yl)propan-2-amine
CID 115713100
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
N-benzyl-1-(oxan-3-yl)ethanamine
CID 130667431
2-benzyl-3-(oxolan-2-yl)propanoic acid
CID 44719068

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(oxolan-2-yl)propan-2-amine?
The IUPAC name of N-benzyl-1-(oxolan-2-yl)propan-2-amine (CID 122156962) is N-benzyl-1-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for N-benzyl-1-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for N-benzyl-1-(oxolan-2-yl)propan-2-amine is CC(CC1CCCO1)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(oxolan-2-yl)propan-2-amine?
The InChIKey is MTVXFLVYHHKCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(10-14-8-5-9-16-14)15-11-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3.
What are the key properties of N-benzyl-1-(oxolan-2-yl)propan-2-amine?
N-benzyl-1-(oxolan-2-yl)propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 122156962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).