[1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol

C16H25NO2 — CID 116912161

IUPAC[1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol
SMILESCC(C)Oc1ccc(C(N(C)C)C2(CO)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)19-14-7-5-13(6-8-14)15(17(3)4)16(11-18)9-10-16/h5-8,12,15,18H,9-11H2,1-4H3
InChIKeyJUWXDTQXDVIVKP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.85
Rot. Bonds6

About [1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol

[1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol (PubChem CID 116912161) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol
PubChem CID116912161
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol
SMILESCC(C)Oc1ccc(C(N(C)C)C2(CO)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)19-14-7-5-13(6-8-14)15(17(3)4)16(11-18)9-10-16/h5-8,12,15,18H,9-11H2,1-4H3
InChIKeyJUWXDTQXDVIVKP-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 116914623
[3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol
CID 116912957
3-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 112508227
3-(dimethylamino)-2-methyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116908070
[1-(4-propan-2-yloxyphenyl)sulfanylcyclopropyl]methanol
CID 117034826
1-N,1-N-dimethyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
CID 116905586
2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethanol
CID 43151137
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
1-[1-(aminomethyl)cyclopropyl]-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 116912250
ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 116914253
4-chloro-4-(4-propan-2-yloxyphenyl)butan-1-ol
CID 82366966
[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol
CID 79135593

Frequently Asked Questions

What is the IUPAC name of [1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol (CID 116912161) is [1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol is CC(C)Oc1ccc(C(N(C)C)C2(CO)CC2)cc1.
What is the InChIKey of [1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol?
The InChIKey is JUWXDTQXDVIVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)19-14-7-5-13(6-8-14)15(17(3)4)16(11-18)9-10-16/h5-8,12,15,18H,9-11H2,1-4H3.
What are the key properties of [1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol?
[1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[dimethylamino-(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116912161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).