2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol

C15H25NO2 — CID 107443118

IUPAC2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol
SMILESCCCOc1ccccc1C(O)C(CN)C(C)C
InChIInChI=1S/C15H25NO2/c1-4-9-18-14-8-6-5-7-12(14)15(17)13(10-16)11(2)3/h5-8,11,13,15,17H,4,9-10,16H2,1-3H3
InChIKeyWOJSOPYEGCRJTQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.74
Rot. Bonds7

About 2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol

2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol (PubChem CID 107443118) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol
PubChem CID107443118
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol
SMILESCCCOc1ccccc1C(O)C(CN)C(C)C
InChIInChI=1S/C15H25NO2/c1-4-9-18-14-8-6-5-7-12(14)15(17)13(10-16)11(2)3/h5-8,11,13,15,17H,4,9-10,16H2,1-3H3
InChIKeyWOJSOPYEGCRJTQ-UHFFFAOYSA-N
XLogP2.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propoxyphenyl)ethanol
CID 43503976
2-methoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659647
2-fluoro-2-(2-propoxyphenyl)ethanamine
CID 104663546
2-methoxy-1-(2-propoxyphenyl)butan-1-ol
CID 116710813
2-ethoxy-1-(2-propoxyphenyl)propan-1-ol
CID 104659557
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
2-amino-1-(2-hexoxyphenyl)ethanol
CID 102543640
(1R)-2-amino-1-(2-hexoxyphenyl)ethanol
CID 124500421
2-[fluoro-[2-(2-methoxyethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 107443551

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol (CID 107443118) is 2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol is CCCOc1ccccc1C(O)C(CN)C(C)C.
What is the InChIKey of 2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol?
The InChIKey is WOJSOPYEGCRJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-9-18-14-8-6-5-7-12(14)15(17)13(10-16)11(2)3/h5-8,11,13,15,17H,4,9-10,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol?
2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-1-(2-propoxyphenyl)butan-1-ol is sourced from PubChem (CID 107443118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).