1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol

C13H21NO2 — CID 62335072

IUPAC1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCCOc1ccc(CN(C)CC(C)O)cc1
InChIInChI=1S/C13H21NO2/c1-4-16-13-7-5-12(6-8-13)10-14(3)9-11(2)15/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyXXBHVFVVOUJBHG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.90
Rot. Bonds6

About 1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol

1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol (PubChem CID 62335072) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
PubChem CID62335072
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCCOc1ccc(CN(C)CC(C)O)cc1
InChIInChI=1S/C13H21NO2/c1-4-16-13-7-5-12(6-8-13)10-14(3)9-11(2)15/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyXXBHVFVVOUJBHG-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(4-hexoxyphenyl)methyl-methylamino]propan-2-ol
CID 99783620
4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 115123071
N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78815360
1-[[4-(hydroxymethyl)phenyl]methyl-methylamino]propan-2-ol
CID 110009104
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
1-[1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]amino]propan-2-ol
CID 43818285
N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257940
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799035
ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine
CID 156653185
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243547

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol (CID 62335072) is 1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol is CCOc1ccc(CN(C)CC(C)O)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol?
The InChIKey is XXBHVFVVOUJBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-16-13-7-5-12(6-8-13)10-14(3)9-11(2)15/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of 1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol?
1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 62335072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).