2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol

C17H29NO2 — CID 166179854

IUPAC2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol
SMILESCc1ccccc1CC(CO)CNC(C)COC(C)C
InChIInChI=1S/C17H29NO2/c1-13(2)20-12-15(4)18-10-16(11-19)9-17-8-6-5-7-14(17)3/h5-8,13,15-16,18-19H,9-12H2,1-4H3
InChIKeyARPQSHHDQAKMCA-UHFFFAOYSA-N
MW279.42 g/mol
LogP2.55
Rot. Bonds9

About 2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol

2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol (PubChem CID 166179854) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol
PubChem CID166179854
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol
SMILESCc1ccccc1CC(CO)CNC(C)COC(C)C
InChIInChI=1S/C17H29NO2/c1-13(2)20-12-15(4)18-10-16(11-19)9-17-8-6-5-7-14(17)3/h5-8,13,15-16,18-19H,9-12H2,1-4H3
InChIKeyARPQSHHDQAKMCA-UHFFFAOYSA-N
XLogP2.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol
CID 166350753
2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
CID 62516134
2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 103984383
2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol
CID 166383552
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
CID 66059935
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 114934852
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
2-[[[3-methyl-1-(2-methylphenyl)butyl]amino]methyl]-3-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 167897478
(2S)-1-(2-methylphenyl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propan-2-amine
CID 97108128

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol?
The IUPAC name of 2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol (CID 166179854) is 2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol is Cc1ccccc1CC(CO)CNC(C)COC(C)C.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol?
The InChIKey is ARPQSHHDQAKMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13(2)20-12-15(4)18-10-16(11-19)9-17-8-6-5-7-14(17)3/h5-8,13,15-16,18-19H,9-12H2,1-4H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol?
2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol is sourced from PubChem (CID 166179854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).