N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine

C15H23NO — CID 114104999

IUPACN-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine
SMILESCC1OCCC1CNCCCc1ccccc1
InChIInChI=1S/C15H23NO/c1-13-15(9-11-17-13)12-16-10-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3
InChIKeyVHZZSYWLKACJLG-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.63
Rot. Bonds6

About N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine

N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine (PubChem CID 114104999) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine
PubChem CID114104999
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine
SMILESCC1OCCC1CNCCCc1ccccc1
InChIInChI=1S/C15H23NO/c1-13-15(9-11-17-13)12-16-10-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3
InChIKeyVHZZSYWLKACJLG-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine
CID 63454499
N-[(2-methyloxolan-3-yl)methyl]-3-phenylbutan-1-amine
CID 114104984
(2R)-1-N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropane-1,2-diamine
CID 112737230
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
CID 60856584
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
N-[(4-ethylmorpholin-2-yl)methyl]-4-phenylbutan-1-amine
CID 114399789
N-[(2-benzyloxolan-3-yl)methyl]ethanamine
CID 79368716
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
1-[2-[(2-methyloxolan-3-yl)methylamino]ethyl]piperidin-4-amine
CID 114106107
N-[2-(oxolan-3-yl)ethyl]-3-phenylpropan-1-amine
CID 102671288
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine (CID 114104999) is N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine is CC1OCCC1CNCCCc1ccccc1.
What is the InChIKey of N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine?
The InChIKey is VHZZSYWLKACJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13-15(9-11-17-13)12-16-10-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3.
What are the key properties of N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine?
N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 114104999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).