4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline

C19H14ClN — CID 155598981

IUPAC4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline
SMILESCNc1ccc(Cl)cc1C#Cc1cccc2ccccc12
InChIInChI=1S/C19H14ClN/c1-21-19-12-11-17(20)13-16(19)10-9-15-7-4-6-14-5-2-3-8-18(14)15/h2-8,11-13,21H,1H3
InChIKeyDWOSIPPMTHKPGC-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.93
Rot. Bonds1

About 4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline

4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline (PubChem CID 155598981) has the molecular formula C19H14ClN and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline.

Molecular Properties

Compound Name4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline
PubChem CID155598981
Molecular FormulaC19H14ClN
Molecular Weight291.78 g/mol
Exact Mass291.08
IUPAC Name4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline
SMILESCNc1ccc(Cl)cc1C#Cc1cccc2ccccc12
InChIInChI=1S/C19H14ClN/c1-21-19-12-11-17(20)13-16(19)10-9-15-7-4-6-14-5-2-3-8-18(14)15/h2-8,11-13,21H,1H3
InChIKeyDWOSIPPMTHKPGC-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)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-chloro-N-methyl-2-[(R)-methylamino(naphthalen-1-yl)methyl]aniline
CID 46187257
2,3,6,7-tetrakis(2-naphthalen-1-ylethynyl)naphthalene
CID 177465758
5,11,13,15-tetrakis(2-naphthalen-1-ylethynyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 122373167
4-chloro-1-N,2-N-dimethylbenzene-1,2-diamine
CID 12589570
N-benzhydryl-2-but-1-ynyl-4-chloroaniline
CID 141134269
3-(2-naphthalen-1-ylethynyl)benzene-1,2-diol
CID 67420821
2,4-dichloro-N-methylaniline
CID 2800935
dimethyl-(2-naphthalen-1-ylethynyl)-phenylsilane
CID 102396235
5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide
CID 62167777
4-chloro-2-(3-ethenyl-1-phenylnaphthalen-2-yl)-N-methylaniline
CID 139257346
N-methyl-2-prop-1-ynylaniline
CID 58035480
3-naphthalen-1-ylprop-2-ynenitrile
CID 116791050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline?
The IUPAC name of 4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline (CID 155598981) is 4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline.
What is the SMILES notation for 4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline?
The canonical SMILES for 4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline is CNc1ccc(Cl)cc1C#Cc1cccc2ccccc12.
What is the InChIKey of 4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline?
The InChIKey is DWOSIPPMTHKPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN/c1-21-19-12-11-17(20)13-16(19)10-9-15-7-4-6-14-5-2-3-8-18(14)15/h2-8,11-13,21H,1H3.
What are the key properties of 4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline?
4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline has a molecular weight of 291.78 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-2-(2-naphthalen-1-ylethynyl)aniline is sourced from PubChem (CID 155598981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).