2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol

C14H24N2O — CID 54879735

IUPAC2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol
SMILESCCCNCc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C14H24N2O/c1-3-9-15-12-13-5-7-14(8-6-13)16(4-2)10-11-17/h5-8,15,17H,3-4,9-12H2,1-2H3
InChIKeyNQVLNCLNMBJDQB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.00
Rot. Bonds8

About 2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol

2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol (PubChem CID 54879735) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol
PubChem CID54879735
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol
SMILESCCCNCc1ccc(N(CC)CCO)cc1
InChIInChI=1S/C14H24N2O/c1-3-9-15-12-13-5-7-14(8-6-13)16(4-2)10-11-17/h5-8,15,17H,3-4,9-12H2,1-2H3
InChIKeyNQVLNCLNMBJDQB-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.00
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline
CID 43281999
2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide
CID 61449191
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
3-[N-propan-2-yl-4-(propylaminomethyl)anilino]propan-1-ol
CID 54994250
N,N-diethyl-4-[(heptylamino)methyl]aniline;hydrochloride
CID 17293965
N,N-diethyl-4-[(hexylamino)methyl]aniline;hydrochloride
CID 17293948
N,N-dibutyl-4-(butylaminomethyl)aniline
CID 134517429
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505
2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
CID 62135723
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753642

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol (CID 54879735) is 2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol is CCCNCc1ccc(N(CC)CCO)cc1.
What is the InChIKey of 2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol?
The InChIKey is NQVLNCLNMBJDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-9-15-12-13-5-7-14(8-6-13)16(4-2)10-11-17/h5-8,15,17H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol?
2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol has a molecular weight of 236.36 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol is sourced from PubChem (CID 54879735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).