4-(2-propan-2-ylanilino)butan-1-ol

C13H21NO — CID 54803429

IUPAC4-(2-propan-2-ylanilino)butan-1-ol
SMILESCC(C)c1ccccc1NCCCCO
InChIInChI=1S/C13H21NO/c1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-15/h3-4,7-8,11,14-15H,5-6,9-10H2,1-2H3
InChIKeyODDVTISMRCPENI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.99
Rot. Bonds6

About 4-(2-propan-2-ylanilino)butan-1-ol

4-(2-propan-2-ylanilino)butan-1-ol (PubChem CID 54803429) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(2-propan-2-ylanilino)butan-1-ol.

Molecular Properties

Compound Name4-(2-propan-2-ylanilino)butan-1-ol
PubChem CID54803429
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(2-propan-2-ylanilino)butan-1-ol
SMILESCC(C)c1ccccc1NCCCCO
InChIInChI=1S/C13H21NO/c1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-15/h3-4,7-8,11,14-15H,5-6,9-10H2,1-2H3
InChIKeyODDVTISMRCPENI-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-propan-2-ylanilino)ethanol
CID 28574084
N-pentyl-2-propan-2-ylaniline
CID 29268175
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
N-(2-chloroethyl)-2-propan-2-ylaniline
CID 82112244
N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500540
2-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54961011
methyl 3-(2-propan-2-ylanilino)propanoate
CID 43365367
N-methyl-3-(2-propan-2-ylanilino)propanamide
CID 62325491
2-methyl-1-(2-propan-2-ylanilino)propan-2-ol
CID 39241882
5-(2-fluoroanilino)pentan-1-ol
CID 62227332
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylanilino)butan-1-ol?
The IUPAC name of 4-(2-propan-2-ylanilino)butan-1-ol (CID 54803429) is 4-(2-propan-2-ylanilino)butan-1-ol.
What is the SMILES notation for 4-(2-propan-2-ylanilino)butan-1-ol?
The canonical SMILES for 4-(2-propan-2-ylanilino)butan-1-ol is CC(C)c1ccccc1NCCCCO.
What is the InChIKey of 4-(2-propan-2-ylanilino)butan-1-ol?
The InChIKey is ODDVTISMRCPENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(2)12-7-3-4-8-13(12)14-9-5-6-10-15/h3-4,7-8,11,14-15H,5-6,9-10H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylanilino)butan-1-ol?
4-(2-propan-2-ylanilino)butan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylanilino)butan-1-ol is sourced from PubChem (CID 54803429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).