1-[(3-ethoxyphenyl)methylamino]butan-2-ol

C13H21NO2 — CID 60884367

IUPAC1-[(3-ethoxyphenyl)methylamino]butan-2-ol
SMILESCCOc1cccc(CNCC(O)CC)c1
InChIInChI=1S/C13H21NO2/c1-3-12(15)10-14-9-11-6-5-7-13(8-11)16-4-2/h5-8,12,14-15H,3-4,9-10H2,1-2H3
InChIKeyIPVXPGZPHVAPMC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds7

About 1-[(3-ethoxyphenyl)methylamino]butan-2-ol

1-[(3-ethoxyphenyl)methylamino]butan-2-ol (PubChem CID 60884367) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(3-ethoxyphenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(3-ethoxyphenyl)methylamino]butan-2-ol
PubChem CID60884367
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[(3-ethoxyphenyl)methylamino]butan-2-ol
SMILESCCOc1cccc(CNCC(O)CC)c1
InChIInChI=1S/C13H21NO2/c1-3-12(15)10-14-9-11-6-5-7-13(8-11)16-4-2/h5-8,12,14-15H,3-4,9-10H2,1-2H3
InChIKeyIPVXPGZPHVAPMC-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731605
1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 54937824
N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570264
1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 142241799
2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine
CID 115655619
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-[(3-ethoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527853
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073056
1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol
CID 142673140
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
1-ethoxy-3-[3-(ethylaminomethyl)phenoxy]propan-2-ol
CID 63933123

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyphenyl)methylamino]butan-2-ol?
The IUPAC name of 1-[(3-ethoxyphenyl)methylamino]butan-2-ol (CID 60884367) is 1-[(3-ethoxyphenyl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(3-ethoxyphenyl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(3-ethoxyphenyl)methylamino]butan-2-ol is CCOc1cccc(CNCC(O)CC)c1.
What is the InChIKey of 1-[(3-ethoxyphenyl)methylamino]butan-2-ol?
The InChIKey is IPVXPGZPHVAPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-12(15)10-14-9-11-6-5-7-13(8-11)16-4-2/h5-8,12,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[(3-ethoxyphenyl)methylamino]butan-2-ol?
1-[(3-ethoxyphenyl)methylamino]butan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyphenyl)methylamino]butan-2-ol is sourced from PubChem (CID 60884367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).