N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine

C11H17ClN2 — CID 60889323

IUPACN'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine
SMILESCC(NCCCN)c1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2/c1-9(14-8-2-7-13)10-3-5-11(12)6-4-10/h3-6,9,14H,2,7-8,13H2,1H3
InChIKeyJWZDYPDBWXQYIR-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.34
Rot. Bonds5

About N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine

N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine (PubChem CID 60889323) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine
PubChem CID60889323
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC NameN'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine
SMILESCC(NCCCN)c1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2/c1-9(14-8-2-7-13)10-3-5-11(12)6-4-10/h3-6,9,14H,2,7-8,13H2,1H3
InChIKeyJWZDYPDBWXQYIR-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
CID 28714593
4-[1-(3-aminopropylamino)ethyl]phenol
CID 60889322
N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine
CID 60893556
N'-[1-(4-methylsulfanylphenyl)ethyl]propane-1,3-diamine
CID 60890077
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
N-[1-(4-chlorophenyl)ethyl]hex-5-yn-1-amine
CID 115693981
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81354649
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81356230
methyl 4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butanoate
CID 81355093
3-[1-(4-chlorophenyl)ethylamino]propanenitrile
CID 43183179
5-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2,2-dimethylpentanenitrile
CID 81353286

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine (CID 60889323) is N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine is CC(NCCCN)c1ccc(Cl)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine?
The InChIKey is JWZDYPDBWXQYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9(14-8-2-7-13)10-3-5-11(12)6-4-10/h3-6,9,14H,2,7-8,13H2,1H3.
What are the key properties of N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine?
N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine has a molecular weight of 212.72 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 60889323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).