2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline

C15H17ClN2O — CID 115555280

IUPAC2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline
SMILESCc1cc(N)c(Cl)cc1OCCCc1ccncc1
InChIInChI=1S/C15H17ClN2O/c1-11-9-14(17)13(16)10-15(11)19-8-2-3-12-4-6-18-7-5-12/h4-7,9-10H,2-3,8,17H2,1H3
InChIKeyUFXTVEPWLOTMSF-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.64
Rot. Bonds5

About 2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline

2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline (PubChem CID 115555280) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline
PubChem CID115555280
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline
SMILESCc1cc(N)c(Cl)cc1OCCCc1ccncc1
InChIInChI=1S/C15H17ClN2O/c1-11-9-14(17)13(16)10-15(11)19-8-2-3-12-4-6-18-7-5-12/h4-7,9-10H,2-3,8,17H2,1H3
InChIKeyUFXTVEPWLOTMSF-UHFFFAOYSA-N
XLogP3.64
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline 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

4-butoxy-2-chloro-5-methylaniline
CID 115555294
5-chloro-2-(3-pyridin-4-ylpropoxy)aniline
CID 29006395
3-chloro-4-(3-pyridin-4-ylpropoxy)aniline
CID 29006391
2-chloro-5-methyl-4-(2-phenoxyethoxy)aniline
CID 115555244
3-methyl-4-(3-pyridin-4-ylpropoxy)benzoic acid
CID 62702591
6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine
CID 115321102
3-chloro-4-(3-pyridin-4-ylpropoxy)benzenecarbothioamide
CID 63087479
[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine
CID 81254097
5-(chloromethyl)-2-methyl-4-(3-pyridin-4-ylpropoxy)pyridine
CID 81235009
3-(chloromethyl)-4,6-dimethyl-2-(3-pyridin-4-ylpropoxy)pyridine
CID 61269144
5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
CID 43449674
3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol
CID 18504590

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline?
The IUPAC name of 2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline (CID 115555280) is 2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline.
What is the SMILES notation for 2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline?
The canonical SMILES for 2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline is Cc1cc(N)c(Cl)cc1OCCCc1ccncc1.
What is the InChIKey of 2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline?
The InChIKey is UFXTVEPWLOTMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11-9-14(17)13(16)10-15(11)19-8-2-3-12-4-6-18-7-5-12/h4-7,9-10H,2-3,8,17H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline?
2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline has a molecular weight of 276.77 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline is sourced from PubChem (CID 115555280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).