2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine

C18H23ClN2O2 — CID 18371415

IUPAC2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1ccc(N)cc1-c1cccc(Cl)c1
InChIInChI=1S/C18H23ClN2O2/c1-22-10-8-21(9-11-23-2)18-7-6-16(20)13-17(18)14-4-3-5-15(19)12-14/h3-7,12-13H,8-11,20H2,1-2H3
InChIKeyWWBNKXNUARAVDS-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.69
Rot. Bonds8

About 2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine

2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine (PubChem CID 18371415) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
PubChem CID18371415
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
SMILESCOCCN(CCOC)c1ccc(N)cc1-c1cccc(Cl)c1
InChIInChI=1S/C18H23ClN2O2/c1-22-10-8-21(9-11-23-2)18-7-6-16(20)13-17(18)14-4-3-5-15(19)12-14/h3-7,12-13H,8-11,20H2,1-2H3
InChIKeyWWBNKXNUARAVDS-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'}

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Related Compounds

2-(2-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine
CID 18371796
5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol
CID 18371496
2-[4-amino-N-(2-hydroxyethyl)-2-(3-methoxyphenyl)anilino]ethanol
CID 18371877
1-N,1-N-bis(2-methoxyethyl)-2-(4-methyl-3-nitrophenyl)benzene-1,4-diamine
CID 18371649
2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
CID 62493985
2-[bis(2-methoxyethyl)amino]-5-chlorobenzamide
CID 139902291
3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
1-N-(2-methoxyethyl)-1-N-methyl-2-(1-methylpyrrol-3-yl)benzene-1,4-diamine
CID 54036933
2-[4-amino-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)phenyl]anilino]ethanol
CID 18371473
4-(3-chlorophenyl)-3-fluoroaniline
CID 65435411
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
5-chloro-2-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
CID 114846465

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine?
The IUPAC name of 2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine (CID 18371415) is 2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine is COCCN(CCOC)c1ccc(N)cc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine?
The InChIKey is WWBNKXNUARAVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c1-22-10-8-21(9-11-23-2)18-7-6-16(20)13-17(18)14-4-3-5-15(19)12-14/h3-7,12-13H,8-11,20H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine?
2-(3-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-(3-chlorophenyl)-1-N,1-N-bis(2-methoxyethyl)benzene-1,4-diamine is sourced from PubChem (CID 18371415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).