1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol

C16H25NO2 — CID 110911157

IUPAC1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol
SMILESCc1cc(C)cc(CNCC(O)COCC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-12-5-13(2)7-15(6-12)8-17-9-16(18)11-19-10-14-3-4-14/h5-7,14,16-18H,3-4,8-11H2,1-2H3
InChIKeyMIYFYNOAYNHVPS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.18
Rot. Bonds8

About 1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol

1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol (PubChem CID 110911157) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol
PubChem CID110911157
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol
SMILESCc1cc(C)cc(CNCC(O)COCC2CC2)c1
InChIInChI=1S/C16H25NO2/c1-12-5-13(2)7-15(6-12)8-17-9-16(18)11-19-10-14-3-4-14/h5-7,14,16-18H,3-4,8-11H2,1-2H3
InChIKeyMIYFYNOAYNHVPS-UHFFFAOYSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
2-[[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
CID 110935652
1-(cyclopropylmethoxy)-3-[(7-methylimidazo[1,2-a]pyridin-3-yl)methylamino]propan-2-ol
CID 111466555
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
1-(cyclopropylmethoxy)-3-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 110929248
1-[(5-chlorothiophen-2-yl)methylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 60744396
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60904125
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[(2,4-dimethylphenyl)methyl]urea
CID 110911367
1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 110010370
1-(3-bromo-4-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55200974

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol (CID 110911157) is 1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol is Cc1cc(C)cc(CNCC(O)COCC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol?
The InChIKey is MIYFYNOAYNHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-5-13(2)7-15(6-12)8-17-9-16(18)11-19-10-14-3-4-14/h5-7,14,16-18H,3-4,8-11H2,1-2H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[(3,5-dimethylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 110911157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).