2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine

C16H19ClN2O — CID 106259814

IUPAC2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine
SMILESCOc1ccccc1CCNc1cc(Cl)c(N)cc1C
InChIInChI=1S/C16H19ClN2O/c1-11-9-14(18)13(17)10-15(11)19-8-7-12-5-3-4-6-16(12)20-2/h3-6,9-10,19H,7-8,18H2,1-2H3
InChIKeyUCXGWCROZDZUQC-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.89
Rot. Bonds5

About 2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine

2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine (PubChem CID 106259814) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine
PubChem CID106259814
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine
SMILESCOc1ccccc1CCNc1cc(Cl)c(N)cc1C
InChIInChI=1S/C16H19ClN2O/c1-11-9-14(18)13(17)10-15(11)19-8-7-12-5-3-4-6-16(12)20-2/h3-6,9-10,19H,7-8,18H2,1-2H3
InChIKeyUCXGWCROZDZUQC-UHFFFAOYSA-N
XLogP3.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-N-[2-(2-fluorophenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 115554439
2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259764
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841
4-fluoro-5-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259828
2-chloro-4-N-[2-(furan-2-yl)ethyl]-5-methylbenzene-1,4-diamine
CID 113334246
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
3-chloro-4-[2-(2-methoxyphenyl)ethylamino]benzenecarbothioamide
CID 106261370
3-chloro-4-[2-(2-methoxyphenyl)ethylamino]benzonitrile
CID 106261278
methyl 3-(4-amino-5-chloro-2-methylanilino)propanoate
CID 115554656
5-N-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 114165618
2-chloro-5-methyl-4-N-(3-phenylbutyl)benzene-1,4-diamine
CID 115554911

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine (CID 106259814) is 2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine is COc1ccccc1CCNc1cc(Cl)c(N)cc1C.
What is the InChIKey of 2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine?
The InChIKey is UCXGWCROZDZUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-9-14(18)13(17)10-15(11)19-8-7-12-5-3-4-6-16(12)20-2/h3-6,9-10,19H,7-8,18H2,1-2H3.
What are the key properties of 2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine?
2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine has a molecular weight of 290.79 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 106259814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).