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

C15H25NO — CID 114066751

IUPAC1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol
SMILESCCCCN(CC)c1ccc(C(O)CC)cc1
InChIInChI=1S/C15H25NO/c1-4-7-12-16(6-3)14-10-8-13(9-11-14)15(17)5-2/h8-11,15,17H,4-7,12H2,1-3H3
InChIKeyLEJLLWKWOUAPRV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.76
Rot. Bonds7

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

1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol (PubChem CID 114066751) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol
PubChem CID114066751
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol
SMILESCCCCN(CC)c1ccc(C(O)CC)cc1
InChIInChI=1S/C15H25NO/c1-4-7-12-16(6-3)14-10-8-13(9-11-14)15(17)5-2/h8-11,15,17H,4-7,12H2,1-3H3
InChIKeyLEJLLWKWOUAPRV-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.76
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-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol
CID 114066768
N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284157
(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 55184841
2-(N-butylanilino)-1-(4-methylphenyl)ethanol
CID 64585032
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 15131768
1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 114066920
3-[4-[(1R)-1-aminoethyl]-N-ethylanilino]propan-1-ol
CID 104861799
4-(2-aminopropyl)-N-butyl-N-ethylaniline
CID 63786093
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
ethane;N-ethyl-4-propan-2-yl-N-propylaniline
CID 145169701
1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
CID 63488227

Frequently Asked Questions

What is the IUPAC name of 1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol (CID 114066751) is 1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol is CCCCN(CC)c1ccc(C(O)CC)cc1.
What is the InChIKey of 1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol?
The InChIKey is LEJLLWKWOUAPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-7-12-16(6-3)14-10-8-13(9-11-14)15(17)5-2/h8-11,15,17H,4-7,12H2,1-3H3.
What are the key properties of 1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol?
1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 114066751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).