N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine

C11H17ClN2O — CID 54808092

IUPACN'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-3-13-6-7-14-9-4-5-11(15-2)10(12)8-9/h4-5,8,13-14H,3,6-7H2,1-2H3
InChIKeyHJAXEJJRSVIGNC-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.37
Rot. Bonds6

About N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine

N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine (PubChem CID 54808092) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
PubChem CID54808092
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameN'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-3-13-6-7-14-9-4-5-11(15-2)10(12)8-9/h4-5,8,13-14H,3,6-7H2,1-2H3
InChIKeyHJAXEJJRSVIGNC-UHFFFAOYSA-N
XLogP2.37
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 115205584
N'-(3-chloro-4-methoxyphenyl)-N-heptylethane-1,2-diamine
CID 54806879
N'-(3-chloro-4-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806573
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
N'-(3-chloro-4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808245
N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine
CID 54808244
3-chloro-4-methoxy-N-(3-methylbut-3-enyl)aniline
CID 114471881
3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
CID 54798735
ethyl 3-(3-chloro-4-methoxyanilino)propanoate
CID 43174181
N'-(5-chloro-4-methoxy-2-methylphenyl)-N-ethylethane-1,2-diamine
CID 115205581
4-(3-chloro-4-methoxyanilino)-2,2-dimethylbutanenitrile
CID 65247556
3-chloro-N-(2-chloroprop-2-enyl)-4-methoxyaniline
CID 60680786

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine (CID 54808092) is N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine is CCNCCNc1ccc(OC)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine?
The InChIKey is HJAXEJJRSVIGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-3-13-6-7-14-9-4-5-11(15-2)10(12)8-9/h4-5,8,13-14H,3,6-7H2,1-2H3.
What are the key properties of N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine?
N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine has a molecular weight of 228.72 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methoxyphenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 54808092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).