1-(N,2,4-trimethylanilino)pentan-2-ol

C14H23NO — CID 62041498

IUPAC1-(N,2,4-trimethylanilino)pentan-2-ol
SMILESCCCC(O)CN(C)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-5-6-13(16)10-15(4)14-8-7-11(2)9-12(14)3/h7-9,13,16H,5-6,10H2,1-4H3
InChIKeyYIYCWOJLVFOXRX-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.90
Rot. Bonds5

About 1-(N,2,4-trimethylanilino)pentan-2-ol

1-(N,2,4-trimethylanilino)pentan-2-ol (PubChem CID 62041498) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(N,2,4-trimethylanilino)pentan-2-ol.

Molecular Properties

Compound Name1-(N,2,4-trimethylanilino)pentan-2-ol
PubChem CID62041498
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(N,2,4-trimethylanilino)pentan-2-ol
SMILESCCCC(O)CN(C)c1ccc(C)cc1C
InChIInChI=1S/C14H23NO/c1-5-6-13(16)10-15(4)14-8-7-11(2)9-12(14)3/h7-9,13,16H,5-6,10H2,1-4H3
InChIKeyYIYCWOJLVFOXRX-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(N,2,4-trimethylanilino)propan-2-ol
CID 112561545
(2S)-1-[(2-fluorophenyl)methoxy]-3-(N,2,4-trimethylanilino)propan-2-ol
CID 51964301
2-(propylamino)-4-(N,2,4-trimethylanilino)butan-1-ol
CID 64790360
1-phenyl-3-(N,2,4-trimethylanilino)propan-1-ol
CID 62612935
1-(N,2,5-trimethylanilino)propan-2-ol
CID 82112048
4-amino-1-(N,2,4,5-tetramethylanilino)butan-2-ol
CID 117039116
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
3,3,3-trifluoro-2-[(N,2,4-trimethylanilino)methyl]propanethioamide
CID 103368674
2-amino-N-(2,4-dimethylphenyl)-N-methylhexanamide
CID 113227828
N'-(2,4-dimethylphenyl)-N-heptan-2-yl-N'-methylethane-1,2-diamine
CID 63504265
1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489442
2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid
CID 62272164

Frequently Asked Questions

What is the IUPAC name of 1-(N,2,4-trimethylanilino)pentan-2-ol?
The IUPAC name of 1-(N,2,4-trimethylanilino)pentan-2-ol (CID 62041498) is 1-(N,2,4-trimethylanilino)pentan-2-ol.
What is the SMILES notation for 1-(N,2,4-trimethylanilino)pentan-2-ol?
The canonical SMILES for 1-(N,2,4-trimethylanilino)pentan-2-ol is CCCC(O)CN(C)c1ccc(C)cc1C.
What is the InChIKey of 1-(N,2,4-trimethylanilino)pentan-2-ol?
The InChIKey is YIYCWOJLVFOXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-13(16)10-15(4)14-8-7-11(2)9-12(14)3/h7-9,13,16H,5-6,10H2,1-4H3.
What are the key properties of 1-(N,2,4-trimethylanilino)pentan-2-ol?
1-(N,2,4-trimethylanilino)pentan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N,2,4-trimethylanilino)pentan-2-ol is sourced from PubChem (CID 62041498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).