1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol

C16H25NO2 — CID 111421969

IUPAC1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCc1ccccc1OCC1CC1
InChIInChI=1S/C16H25NO2/c1-12(2)15(18)10-17-9-14-5-3-4-6-16(14)19-11-13-7-8-13/h3-6,12-13,15,17-18H,7-11H2,1-2H3
InChIKeyGQJOYHMHEORDLM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.58
Rot. Bonds8

About 1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol

1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol (PubChem CID 111421969) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol
PubChem CID111421969
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNCc1ccccc1OCC1CC1
InChIInChI=1S/C16H25NO2/c1-12(2)15(18)10-17-9-14-5-3-4-6-16(14)19-11-13-7-8-13/h3-6,12-13,15,17-18H,7-11H2,1-2H3
InChIKeyGQJOYHMHEORDLM-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119786909
1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296327
3-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]butan-2-ol
CID 111422039
1-cyclohexyl-N-[[2-(cyclopropylmethoxy)phenyl]methyl]propan-2-amine
CID 146001154
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 111577189
1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110022688
(2S)-1-[4-[[(2-ethoxyphenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95273065
2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949
2-amino-N-[[2-(cyclopropylmethoxy)phenyl]methyl]acetamide
CID 119325506
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111577169

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol (CID 111421969) is 1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol is CC(C)C(O)CNCc1ccccc1OCC1CC1.
What is the InChIKey of 1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol?
The InChIKey is GQJOYHMHEORDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)15(18)10-17-9-14-5-3-4-6-16(14)19-11-13-7-8-13/h3-6,12-13,15,17-18H,7-11H2,1-2H3.
What are the key properties of 1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol?
1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopropylmethoxy)phenyl]methylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 111421969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).