2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

C16H25NO2 — CID 62573039

IUPAC2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCc1cccc(OC(C)CNCC2CCCO2)c1C
InChIInChI=1S/C16H25NO2/c1-12-6-4-8-16(14(12)3)19-13(2)10-17-11-15-7-5-9-18-15/h4,6,8,13,15,17H,5,7,9-11H2,1-3H3
InChIKeyZSVXMHPYOPQWLQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.84
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine

2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 62573039) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID62573039
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESCc1cccc(OC(C)CNCC2CCCO2)c1C
InChIInChI=1S/C16H25NO2/c1-12-6-4-8-16(14(12)3)19-13(2)10-17-11-15-7-5-9-18-15/h4,6,8,13,15,17H,5,7,9-11H2,1-3H3
InChIKeyZSVXMHPYOPQWLQ-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55093100
2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63649409
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676912
2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62784900
1-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8767532
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 95167614
(2R)-3-(2,6-dimethoxyphenoxy)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 915883
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111502914
1-[2-(2-bromophenoxy)propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111968367

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine (CID 62573039) is 2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine is Cc1cccc(OC(C)CNCC2CCCO2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is ZSVXMHPYOPQWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-6-4-8-16(14(12)3)19-13(2)10-17-11-15-7-5-9-18-15/h4,6,8,13,15,17H,5,7,9-11H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine?
2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 62573039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).