2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine

C18H29NO2 — CID 65158500

IUPAC2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccccc1OCCCC1CCCO1
InChIInChI=1S/C18H29NO2/c1-15(2)13-19-14-16-7-3-4-10-18(16)21-12-6-9-17-8-5-11-20-17/h3-4,7,10,15,17,19H,5-6,8-9,11-14H2,1-2H3
InChIKeyVGHWBOYXQDESMU-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.77
Rot. Bonds9

About 2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine

2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine (PubChem CID 65158500) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
PubChem CID65158500
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccccc1OCCCC1CCCO1
InChIInChI=1S/C18H29NO2/c1-15(2)13-19-14-16-7-3-4-10-18(16)21-12-6-9-17-8-5-11-20-17/h3-4,7,10,15,17,19H,5-6,8-9,11-14H2,1-2H3
InChIKeyVGHWBOYXQDESMU-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949
2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158401
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 46736214
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
N-[[2-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 103409052
N-[[5-bromo-2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158825
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158484
(1S)-1-[2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158891

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine (CID 65158500) is 2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine is CC(C)CNCc1ccccc1OCCCC1CCCO1.
What is the InChIKey of 2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine?
The InChIKey is VGHWBOYXQDESMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(2)13-19-14-16-7-3-4-10-18(16)21-12-6-9-17-8-5-11-20-17/h3-4,7,10,15,17,19H,5-6,8-9,11-14H2,1-2H3.
What are the key properties of 2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine?
2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 65158500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).