2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine

C18H29NO2 — CID 62445664

IUPAC2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
SMILESCC(C)CNCC(OCC1CCCCO1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-15(2)12-19-13-18(16-8-4-3-5-9-16)21-14-17-10-6-7-11-20-17/h3-5,8-9,15,17-19H,6-7,10-14H2,1-2H3
InChIKeyQKIDCAMIQNGRAZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.56
Rot. Bonds8

About 2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine

2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine (PubChem CID 62445664) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
PubChem CID62445664
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
SMILESCC(C)CNCC(OCC1CCCCO1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-15(2)12-19-13-18(16-8-4-3-5-9-16)21-14-17-10-6-7-11-20-17/h3-5,8-9,15,17-19H,6-7,10-14H2,1-2H3
InChIKeyQKIDCAMIQNGRAZ-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine
CID 62107918
2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine
CID 62106135
ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol
CID 143051501
N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62108277
N-[2-(4-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107771
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
1-(oxolan-2-ylmethoxy)-1-phenylpropan-2-amine
CID 55017321
N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62106890
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107945
N-[2-(oxolan-2-ylmethoxy)propyl]aniline
CID 55088776
2-(2-bromophenyl)-N-ethyl-2-(oxolan-2-ylmethoxy)ethanamine
CID 62107604
N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62443749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine (CID 62445664) is 2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine is CC(C)CNCC(OCC1CCCCO1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine?
The InChIKey is QKIDCAMIQNGRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(2)12-19-13-18(16-8-4-3-5-9-16)21-14-17-10-6-7-11-20-17/h3-5,8-9,15,17-19H,6-7,10-14H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine?
2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 62445664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).