2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol

C16H25NO2 — CID 114750185

IUPAC2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol
SMILESCC(C)Oc1ccccc1CNCC1(CCO)CC1
InChIInChI=1S/C16H25NO2/c1-13(2)19-15-6-4-3-5-14(15)11-17-12-16(7-8-16)9-10-18/h3-6,13,17-18H,7-12H2,1-2H3
InChIKeyKWFVUWVXPJQJHU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.73
Rot. Bonds8

About 2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol

2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol (PubChem CID 114750185) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol
PubChem CID114750185
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol
SMILESCC(C)Oc1ccccc1CNCC1(CCO)CC1
InChIInChI=1S/C16H25NO2/c1-13(2)19-15-6-4-3-5-14(15)11-17-12-16(7-8-16)9-10-18/h3-6,13,17-18H,7-12H2,1-2H3
InChIKeyKWFVUWVXPJQJHU-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol
CID 114750189
N-[(1-methoxycyclobutyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 103991718
N-[(2-methylthiolan-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 80528835
2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzonitrile
CID 104954545
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
3-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]benzene-1,2-diol
CID 114756017
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933298
1-(2-ethoxyphenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735607
3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 115733033
2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
CID 114615444
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol (CID 114750185) is 2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol is CC(C)Oc1ccccc1CNCC1(CCO)CC1.
What is the InChIKey of 2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is KWFVUWVXPJQJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(2)19-15-6-4-3-5-14(15)11-17-12-16(7-8-16)9-10-18/h3-6,13,17-18H,7-12H2,1-2H3.
What are the key properties of 2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).