N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine

C16H25NO2 — CID 129398388

IUPACN-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine
SMILESCN(CCCOCc1ccccc1)C[C@@H]1CCOC1
InChIInChI=1S/C16H25NO2/c1-17(12-16-8-11-19-14-16)9-5-10-18-13-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3/t16-/m0/s1
InChIKeyKGRROJASMWHASZ-INIZCTEOSA-N
MW263.38 g/mol
LogP2.56
Rot. Bonds8

About N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine

N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine (PubChem CID 129398388) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine
PubChem CID129398388
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine
SMILESCN(CCCOCc1ccccc1)C[C@@H]1CCOC1
InChIInChI=1S/C16H25NO2/c1-17(12-16-8-11-19-14-16)9-5-10-18-13-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3/t16-/m0/s1
InChIKeyKGRROJASMWHASZ-INIZCTEOSA-N
XLogP2.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(2-methylphenoxy)-N-[[(3S)-oxan-3-yl]methyl]propan-1-amine
CID 124548860
N'-methyl-N'-(oxolan-3-ylmethyl)propane-1,3-diamine
CID 61312630
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
N-methyl-2-phenylmethoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]ethanamine
CID 134696967
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066
4-chloro-3-(2-phenylmethoxyethyl)oxane
CID 130537120
1-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111647003
(E)-N,2-dimethyl-N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine
CID 75482901
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 109386374
N-benzyl-3-[(4-methoxyphenyl)methoxy]-N-methylpropan-1-amine
CID 14909645
N-methyl-2-(6-methyl-2-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 131932722

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine?
The IUPAC name of N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine (CID 129398388) is N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine.
What is the SMILES notation for N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine?
The canonical SMILES for N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine is CN(CCCOCc1ccccc1)C[C@@H]1CCOC1.
What is the InChIKey of N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine?
The InChIKey is KGRROJASMWHASZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17(12-16-8-11-19-14-16)9-5-10-18-13-15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3/t16-/m0/s1.
What are the key properties of N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine?
N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3S)-oxolan-3-yl]methyl]-3-phenylmethoxypropan-1-amine is sourced from PubChem (CID 129398388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).