2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine

C16H25NO — CID 103138163

IUPAC2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
SMILESCNCC(Cc1ccccc1)CC1CCC(C)O1
InChIInChI=1S/C16H25NO/c1-13-8-9-16(18-13)11-15(12-17-2)10-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3
InChIKeyWSRRGFGPJSOOOO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.02
Rot. Bonds6

About 2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine

2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine (PubChem CID 103138163) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
PubChem CID103138163
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
SMILESCNCC(Cc1ccccc1)CC1CCC(C)O1
InChIInChI=1S/C16H25NO/c1-13-8-9-16(18-13)11-15(12-17-2)10-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3
InChIKeyWSRRGFGPJSOOOO-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine
CID 103138259
N-methyl-2-[(5-methyloxolan-2-yl)methyl]pentan-1-amine
CID 103138192
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138315
2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-5-methyloxolane
CID 103142686
2-(4-bromophenyl)-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138809
N-methyl-2-[(4-methylphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 62549112
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459
2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 102940419
2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-ol
CID 103142494
2-benzyl-N-methylhexan-1-amine
CID 62529253
N,2,3-trimethyl-4-phenylbutan-1-amine
CID 81016315
2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019615

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine?
The IUPAC name of 2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine (CID 103138163) is 2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine.
What is the SMILES notation for 2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine?
The canonical SMILES for 2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine is CNCC(Cc1ccccc1)CC1CCC(C)O1.
What is the InChIKey of 2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine?
The InChIKey is WSRRGFGPJSOOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-8-9-16(18-13)11-15(12-17-2)10-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3.
What are the key properties of 2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine?
2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-3-(5-methyloxolan-2-yl)propan-1-amine is sourced from PubChem (CID 103138163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).