2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine

C18H23ClN2O2 — CID 18371796

IUPAC2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1ccc(N)cc1-c1ccccc1Cl
InChIInChI=1S/C18H23ClN2O2/c1-22-11-9-21(10-12-23-2)18-8-7-14(20)13-16(18)15-5-3-4-6-17(15)19/h3-8,13H,9-12,20H2,1-2H3
InChIKeyYJGZITSPPCJEQB-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.69
Rot. Bonds8

About 2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine

2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine (PubChem CID 18371796) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
PubChem CID18371796
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1ccc(N)cc1-c1ccccc1Cl
InChIInChI=1S/C18H23ClN2O2/c1-22-11-9-21(10-12-23-2)18-8-7-14(20)13-16(18)15-5-3-4-6-17(15)19/h3-8,13H,9-12,20H2,1-2H3
InChIKeyYJGZITSPPCJEQB-UHFFFAOYSA-N
XLogP3.69
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine 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

2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371415
5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol
CID 18371496
4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166238
4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 55189591
2-chloro-N-ethyl-N-(2-methoxyethyl)aniline
CID 139729852
2-(2-chlorophenyl)benzene-1,4-diamine
CID 18371389
2,6-dichloro-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 106890000
1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine
CID 18371649
4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166314
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63734268
2-(2-aminoethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786522

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine?
The IUPAC name of 2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine (CID 18371796) is 2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine is COCCN(CCOC)c1ccc(N)cc1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine?
The InChIKey is YJGZITSPPCJEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-22-11-9-21(10-12-23-2)18-8-7-14(20)13-16(18)15-5-3-4-6-17(15)19/h3-8,13H,9-12,20H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine?
2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine has a molecular weight of 334.85 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine is sourced from PubChem (CID 18371796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).