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

C13H21NO — CID 142241799

IUPAC1-[(3-ethylphenyl)methylamino]butan-2-ol
SMILESCCc1cccc(CNCC(O)CC)c1
InChIInChI=1S/C13H21NO/c1-3-11-6-5-7-12(8-11)9-14-10-13(15)4-2/h5-8,13-15H,3-4,9-10H2,1-2H3
InChIKeyWWWGHZQLTPZRJH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.11
Rot. Bonds6

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

1-[(3-ethylphenyl)methylamino]butan-2-ol (PubChem CID 142241799) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(3-ethylphenyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name1-[(3-ethylphenyl)methylamino]butan-2-ol
PubChem CID142241799
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[(3-ethylphenyl)methylamino]butan-2-ol
SMILESCCc1cccc(CNCC(O)CC)c1
InChIInChI=1S/C13H21NO/c1-3-11-6-5-7-12(8-11)9-14-10-13(15)4-2/h5-8,13-15H,3-4,9-10H2,1-2H3
InChIKeyWWWGHZQLTPZRJH-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol
CID 142673140
1-(3-ethylphenyl)butan-2-ol
CID 91658604
1-[(3-ethoxyphenyl)methylamino]butan-2-ol
CID 60884367
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
CID 107230520
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795
N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide
CID 70881613
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol
CID 60900020
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
(2S)-1-amino-3-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 70832697

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylphenyl)methylamino]butan-2-ol?
The IUPAC name of 1-[(3-ethylphenyl)methylamino]butan-2-ol (CID 142241799) is 1-[(3-ethylphenyl)methylamino]butan-2-ol.
What is the SMILES notation for 1-[(3-ethylphenyl)methylamino]butan-2-ol?
The canonical SMILES for 1-[(3-ethylphenyl)methylamino]butan-2-ol is CCc1cccc(CNCC(O)CC)c1.
What is the InChIKey of 1-[(3-ethylphenyl)methylamino]butan-2-ol?
The InChIKey is WWWGHZQLTPZRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-11-6-5-7-12(8-11)9-14-10-13(15)4-2/h5-8,13-15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[(3-ethylphenyl)methylamino]butan-2-ol?
1-[(3-ethylphenyl)methylamino]butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylphenyl)methylamino]butan-2-ol is sourced from PubChem (CID 142241799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).