1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol

C14H24N2O — CID 62333161

IUPAC1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol
SMILESCCNC(C)c1ccc(N(C)CC(C)O)cc1
InChIInChI=1S/C14H24N2O/c1-5-15-12(3)13-6-8-14(9-7-13)16(4)10-11(2)17/h6-9,11-12,15,17H,5,10H2,1-4H3
InChIKeyRAIYJXHLJPPHRI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.17
Rot. Bonds6

About 1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol

1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol (PubChem CID 62333161) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol.

Molecular Properties

Compound Name1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol
PubChem CID62333161
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol
SMILESCCNC(C)c1ccc(N(C)CC(C)O)cc1
InChIInChI=1S/C14H24N2O/c1-5-15-12(3)13-6-8-14(9-7-13)16(4)10-11(2)17/h6-9,11-12,15,17H,5,10H2,1-4H3
InChIKeyRAIYJXHLJPPHRI-UHFFFAOYSA-N
XLogP2.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.17
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

N'-[4-[1-(ethylamino)ethyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695069
1-[4-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935182
4-[1-(ethylamino)ethyl]-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 79850828
N-[(4-chlorophenyl)methyl]-4-[1-(ethylamino)ethyl]-N-methylaniline
CID 61415085
3-[4-[1-(ethylamino)ethyl]phenyl]-1-(2-hydroxypropyl)-1-methylurea
CID 62338403
N-ethyl-4-[1-(ethylamino)ethyl]-N-propan-2-ylaniline
CID 43284571
N-[4-[1-(ethylamino)ethyl]phenyl]-N,3,5-trimethylaniline
CID 63533292
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284157
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
4-[1-(ethylamino)ethyl]-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63712227
4-[[(2S)-2-hydroxypropyl]-methylamino]benzonitrile
CID 106932815

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol?
The IUPAC name of 1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol (CID 62333161) is 1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol.
What is the SMILES notation for 1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol?
The canonical SMILES for 1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol is CCNC(C)c1ccc(N(C)CC(C)O)cc1.
What is the InChIKey of 1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol?
The InChIKey is RAIYJXHLJPPHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-15-12(3)13-6-8-14(9-7-13)16(4)10-11(2)17/h6-9,11-12,15,17H,5,10H2,1-4H3.
What are the key properties of 1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol?
1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(ethylamino)ethyl]-N-methylanilino]propan-2-ol is sourced from PubChem (CID 62333161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).