2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol

C14H23ClN2O — CID 104552335

IUPAC2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol
SMILESCCNC(C)c1ccc(N(C)C(C)CO)cc1Cl
InChIInChI=1S/C14H23ClN2O/c1-5-16-11(3)13-7-6-12(8-14(13)15)17(4)10(2)9-18/h6-8,10-11,16,18H,5,9H2,1-4H3
InChIKeyICQSLTLGFOQAPA-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.83
Rot. Bonds6

About 2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol

2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol (PubChem CID 104552335) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol.

Molecular Properties

Compound Name2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol
PubChem CID104552335
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol
SMILESCCNC(C)c1ccc(N(C)C(C)CO)cc1Cl
InChIInChI=1S/C14H23ClN2O/c1-5-16-11(3)13-7-6-12(8-14(13)15)17(4)10(2)9-18/h6-8,10-11,16,18H,5,9H2,1-4H3
InChIKeyICQSLTLGFOQAPA-UHFFFAOYSA-N
XLogP2.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-4-[1-(ethylamino)ethyl]aniline
CID 64522368
2-chloro-N'-hydroxy-4-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552150
1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
CID 82772280
2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol
CID 103873023
2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol
CID 104552910
1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine
CID 107750950
2-amino-2-[2-chloro-4-(dimethylamino)phenyl]ethanol
CID 130060474
2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 114798135
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
2-[[6-[1-(ethylamino)propyl]-3-pyridinyl]-methylamino]propan-1-ol
CID 104552388
2-[1-(ethylamino)ethyl]-5-[methyl(2-methylbutan-2-yl)amino]phenol
CID 79603823

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol?
The IUPAC name of 2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol (CID 104552335) is 2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol.
What is the SMILES notation for 2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol?
The canonical SMILES for 2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol is CCNC(C)c1ccc(N(C)C(C)CO)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol?
The InChIKey is ICQSLTLGFOQAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-5-16-11(3)13-7-6-12(8-14(13)15)17(4)10(2)9-18/h6-8,10-11,16,18H,5,9H2,1-4H3.
What are the key properties of 2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol?
2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol has a molecular weight of 270.80 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[1-(ethylamino)ethyl]-N-methylanilino]propan-1-ol is sourced from PubChem (CID 104552335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).