2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol

C15H26N2O — CID 61446426

IUPAC2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol
SMILESCCCCN(CCO)c1ccc(C(C)NC)cc1
InChIInChI=1S/C15H26N2O/c1-4-5-10-17(11-12-18)15-8-6-14(7-9-15)13(2)16-3/h6-9,13,16,18H,4-5,10-12H2,1-3H3
InChIKeyNVXZUERGVOIOTA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.57
Rot. Bonds8

About 2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol

2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol (PubChem CID 61446426) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol
PubChem CID61446426
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol
SMILESCCCCN(CCO)c1ccc(C(C)NC)cc1
InChIInChI=1S/C15H26N2O/c1-4-5-10-17(11-12-18)15-8-6-14(7-9-15)13(2)16-3/h6-9,13,16,18H,4-5,10-12H2,1-3H3
InChIKeyNVXZUERGVOIOTA-UHFFFAOYSA-N
XLogP2.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 55184841
4-[butyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 61448236
N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284157
2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727
[4-[bis(2-hydroxyethyl)amino]phenyl]-butylsulfanylmethanethiolate;gold(1+)
CID 59102068
4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 61448189
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
4-[[4-(dibutylamino)phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 15131768
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
3-(N-pentyl-4-propan-2-ylanilino)propanoic acid
CID 82318132
2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol
CID 102397474
1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol
CID 114066751

Frequently Asked Questions

What is the IUPAC name of 2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol?
The IUPAC name of 2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol (CID 61446426) is 2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol.
What is the SMILES notation for 2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol?
The canonical SMILES for 2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol is CCCCN(CCO)c1ccc(C(C)NC)cc1.
What is the InChIKey of 2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol?
The InChIKey is NVXZUERGVOIOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-5-10-17(11-12-18)15-8-6-14(7-9-15)13(2)16-3/h6-9,13,16,18H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol?
2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol has a molecular weight of 250.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol is sourced from PubChem (CID 61446426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).