1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol

C13H21NO2 — CID 60883271

IUPAC1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
SMILESCCC(O)COc1cccc(C(C)NC)c1
InChIInChI=1S/C13H21NO2/c1-4-12(15)9-16-13-7-5-6-11(8-13)10(2)14-3/h5-8,10,12,14-15H,4,9H2,1-3H3
InChIKeyCFEKRVKCQKVPGP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds6

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

1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol (PubChem CID 60883271) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
PubChem CID60883271
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
SMILESCCC(O)COc1cccc(C(C)NC)c1
InChIInChI=1S/C13H21NO2/c1-4-12(15)9-16-13-7-5-6-11(8-13)10(2)14-3/h5-8,10,12,14-15H,4,9H2,1-3H3
InChIKeyCFEKRVKCQKVPGP-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethoxy)-3-[3-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 106988527
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
1-ethoxy-3-[3-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 63931889
1-(3-methylphenoxy)butan-2-ol
CID 13089920
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114930058
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 79360997
3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
CID 82849501
1-[3-(2-methylbutoxy)phenyl]ethanol
CID 62104387

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol?
The IUPAC name of 1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol (CID 60883271) is 1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol.
What is the SMILES notation for 1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol?
The canonical SMILES for 1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol is CCC(O)COc1cccc(C(C)NC)c1.
What is the InChIKey of 1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol?
The InChIKey is CFEKRVKCQKVPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-12(15)9-16-13-7-5-6-11(8-13)10(2)14-3/h5-8,10,12,14-15H,4,9H2,1-3H3.
What are the key properties of 1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol?
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol is sourced from PubChem (CID 60883271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).