1-(N-butylanilino)butan-2-ol

C14H23NO — CID 63102235

IUPAC1-(N-butylanilino)butan-2-ol
SMILESCCCCN(CC(O)CC)c1ccccc1
InChIInChI=1S/C14H23NO/c1-3-5-11-15(12-14(16)4-2)13-9-7-6-8-10-13/h6-10,14,16H,3-5,11-12H2,1-2H3
InChIKeyNEHMUMHICAISMP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.06
Rot. Bonds7

About 1-(N-butylanilino)butan-2-ol

1-(N-butylanilino)butan-2-ol (PubChem CID 63102235) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(N-butylanilino)butan-2-ol.

Molecular Properties

Compound Name1-(N-butylanilino)butan-2-ol
PubChem CID63102235
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(N-butylanilino)butan-2-ol
SMILESCCCCN(CC(O)CC)c1ccccc1
InChIInChI=1S/C14H23NO/c1-3-5-11-15(12-14(16)4-2)13-9-7-6-8-10-13/h6-10,14,16H,3-5,11-12H2,1-2H3
InChIKeyNEHMUMHICAISMP-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol
CID 64585186
1-N-butyl-1-N-phenylpropane-1,2-diamine
CID 64584797
2-(N-butylanilino)-1-(4-methylphenyl)ethanol
CID 64585032
N-butyl-N-(2-methylpentyl)aniline
CID 23123551
1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine
CID 64585190
N,N-dibutylaniline;perchloric acid
CID 71443116
N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine
CID 65233155
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953
N,N-dibutylaniline;propane;prop-1-ene
CID 142114632
N-(fluoromethyl)-N-hexylaniline
CID 22637345
N'-butyl-1-(3-fluorophenyl)-N'-phenylethane-1,2-diamine
CID 107521487

Frequently Asked Questions

What is the IUPAC name of 1-(N-butylanilino)butan-2-ol?
The IUPAC name of 1-(N-butylanilino)butan-2-ol (CID 63102235) is 1-(N-butylanilino)butan-2-ol.
What is the SMILES notation for 1-(N-butylanilino)butan-2-ol?
The canonical SMILES for 1-(N-butylanilino)butan-2-ol is CCCCN(CC(O)CC)c1ccccc1.
What is the InChIKey of 1-(N-butylanilino)butan-2-ol?
The InChIKey is NEHMUMHICAISMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-11-15(12-14(16)4-2)13-9-7-6-8-10-13/h6-10,14,16H,3-5,11-12H2,1-2H3.
What are the key properties of 1-(N-butylanilino)butan-2-ol?
1-(N-butylanilino)butan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-butylanilino)butan-2-ol is sourced from PubChem (CID 63102235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).