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

C15H17ClN2O — CID 106259764

IUPAC2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
SMILESCOc1ccccc1CCNc1ccc(N)cc1Cl
InChIInChI=1S/C15H17ClN2O/c1-19-15-5-3-2-4-11(15)8-9-18-14-7-6-12(17)10-13(14)16/h2-7,10,18H,8-9,17H2,1H3
InChIKeyINTRQBKHPZHFAK-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.59
Rot. Bonds5

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

2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine (PubChem CID 106259764) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
PubChem CID106259764
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
SMILESCOc1ccccc1CCNc1ccc(N)cc1Cl
InChIInChI=1S/C15H17ClN2O/c1-19-15-5-3-2-4-11(15)8-9-18-14-7-6-12(17)10-13(14)16/h2-7,10,18H,8-9,17H2,1H3
InChIKeyINTRQBKHPZHFAK-UHFFFAOYSA-N
XLogP3.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.59
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

3-chloro-4-[2-(2-methoxyphenyl)ethylamino]benzenecarbothioamide
CID 106261370
3-chloro-4-[2-(2-methoxyphenyl)ethylamino]benzonitrile
CID 106261278
2-chloro-4-N-[2-(2-methoxyphenyl)ethyl]-5-methylbenzene-1,4-diamine
CID 106259814
2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
CID 28903455
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
4-fluoro-5-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259828
2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259825
2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713
3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025285
2-chloro-1-N-propylbenzene-1,4-diamine
CID 28902196
2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid
CID 106262540

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine (CID 106259764) is 2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine is COc1ccccc1CCNc1ccc(N)cc1Cl.
What is the InChIKey of 2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine?
The InChIKey is INTRQBKHPZHFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-19-15-5-3-2-4-11(15)8-9-18-14-7-6-12(17)10-13(14)16/h2-7,10,18H,8-9,17H2,1H3.
What are the key properties of 2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine?
2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 106259764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).