N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine

C17H21ClN2O — CID 54806067

IUPACN'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(NCCNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H21ClN2O/c1-2-13-21-17-9-7-16(8-10-17)20-12-11-19-15-5-3-14(18)4-6-15/h3-10,19-20H,2,11-13H2,1H3
InChIKeyFKZZIJXIQZEOAW-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.65
Rot. Bonds8

About N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine

N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 54806067) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID54806067
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(NCCNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H21ClN2O/c1-2-13-21-17-9-7-16(8-10-17)20-12-11-19-15-5-3-14(18)4-6-15/h3-10,19-20H,2,11-13H2,1H3
InChIKeyFKZZIJXIQZEOAW-UHFFFAOYSA-N
XLogP4.65
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.65
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

4-chloro-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517333
N'-(2-fluorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54810146
N-(4-butoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine
CID 54808319
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
N-[2-(2-chlorophenoxy)ethyl]-4-propoxyaniline
CID 54798999
N-[(2-chlorophenyl)methyl]-N'-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808219
4-butoxy-N-butylaniline
CID 15112153
1-N-[2-(4-chlorophenoxy)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 82096386
N-but-3-ynyl-4-propoxyaniline
CID 63655083
3-methyl-1-N-(4-propoxyphenyl)butane-1,3-diamine
CID 112753914

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine (CID 54806067) is N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(NCCNc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is FKZZIJXIQZEOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-2-13-21-17-9-7-16(8-10-17)20-12-11-19-15-5-3-14(18)4-6-15/h3-10,19-20H,2,11-13H2,1H3.
What are the key properties of N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine?
N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 304.82 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54806067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).