1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol

C15H25NO — CID 114066768

IUPAC1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N(CC)CC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-5-15(17)13-7-9-14(10-8-13)16(6-2)11-12(3)4/h7-10,12,15,17H,5-6,11H2,1-4H3
InChIKeyCONULNKIFMSHLY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.61
Rot. Bonds6

About 1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol

1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol (PubChem CID 114066768) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol
PubChem CID114066768
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N(CC)CC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-5-15(17)13-7-9-14(10-8-13)16(6-2)11-12(3)4/h7-10,12,15,17H,5-6,11H2,1-4H3
InChIKeyCONULNKIFMSHLY-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol
CID 114066751
(1R)-1-[5-[ethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355284
(1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol
CID 78939931
1-[4-[methyl(3-methylbutyl)amino]phenyl]propan-1-ol
CID 114066804
4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline
CID 79477951
5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol
CID 79604002
1-(4-chloro-N-ethylanilino)propan-2-ol
CID 174579431
1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 114066920
3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949371
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol (CID 114066768) is 1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol is CCC(O)c1ccc(N(CC)CC(C)C)cc1.
What is the InChIKey of 1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol?
The InChIKey is CONULNKIFMSHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(17)13-7-9-14(10-8-13)16(6-2)11-12(3)4/h7-10,12,15,17H,5-6,11H2,1-4H3.
What are the key properties of 1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol?
1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 114066768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).