2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol

C18H29NO2 — CID 114750364

IUPAC2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol
SMILESCC(C)CCOc1ccc(CNCC2(CCO)CC2)cc1
InChIInChI=1S/C18H29NO2/c1-15(2)7-12-21-17-5-3-16(4-6-17)13-19-14-18(8-9-18)10-11-20/h3-6,15,19-20H,7-14H2,1-2H3
InChIKeyFMBHJRZYXNYOIE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.36
Rot. Bonds10

About 2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol

2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol (PubChem CID 114750364) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol
PubChem CID114750364
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol
SMILESCC(C)CCOc1ccc(CNCC2(CCO)CC2)cc1
InChIInChI=1S/C18H29NO2/c1-15(2)7-12-21-17-5-3-16(4-6-17)13-19-14-18(8-9-18)10-11-20/h3-6,15,19-20H,7-14H2,1-2H3
InChIKeyFMBHJRZYXNYOIE-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]phenoxy]acetonitrile
CID 114756105
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
N'-[[4-(3-methylbutoxy)phenyl]methyl]propane-1,3-diamine
CID 60888382
2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol
CID 103859561
2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750236
4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide
CID 114750159
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
2-[1-[[(3-methoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750075
2-methyl-N-[[4-(3-methylbutoxy)phenyl]methyl]pentan-3-amine
CID 63455307
N-[[4-(3-methylbutoxy)phenyl]methyl]aniline
CID 29039678
N-[[4-(3-methylbutoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115764090
N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 103735577

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol (CID 114750364) is 2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol is CC(C)CCOc1ccc(CNCC2(CCO)CC2)cc1.
What is the InChIKey of 2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol?
The InChIKey is FMBHJRZYXNYOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15(2)7-12-21-17-5-3-16(4-6-17)13-19-14-18(8-9-18)10-11-20/h3-6,15,19-20H,7-14H2,1-2H3.
What are the key properties of 2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol?
2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol has a molecular weight of 291.44 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).