N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine

C15H26ClN3 — CID 114851389

IUPACN'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCCNCc1ccc(Cl)cc1N(C)CCN(C)C
InChIInChI=1S/C15H26ClN3/c1-5-8-17-12-13-6-7-14(16)11-15(13)19(4)10-9-18(2)3/h6-7,11,17H,5,8-10,12H2,1-4H3
InChIKeyPSAPFDNDVWIKCE-UHFFFAOYSA-N
MW283.85 g/mol
LogP2.84
Rot. Bonds8

About N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 114851389) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID114851389
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC NameN'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCCNCc1ccc(Cl)cc1N(C)CCN(C)C
InChIInChI=1S/C15H26ClN3/c1-5-8-17-12-13-6-7-14(16)11-15(13)19(4)10-9-18(2)3/h6-7,11,17H,5,8-10,12H2,1-4H3
InChIKeyPSAPFDNDVWIKCE-UHFFFAOYSA-N
XLogP2.84
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634
5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114848202
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylaminomethyl)aniline
CID 114850335
5-chloro-N-methyl-N-(3-methylphenyl)-2-(propylaminomethyl)aniline
CID 114850483
5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
CID 114849138
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
N'-[4-chloro-2-(propylaminomethyl)phenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995199
5-chloro-N-methyl-N-(2-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114850043
5-chloro-N-methyl-N-(3-methylcyclohexyl)-2-(propylaminomethyl)aniline
CID 114849223
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-pentylaniline
CID 114848078

Frequently Asked Questions

What is the IUPAC name of N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine (CID 114851389) is N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine is CCCNCc1ccc(Cl)cc1N(C)CCN(C)C.
What is the InChIKey of N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is PSAPFDNDVWIKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-5-8-17-12-13-6-7-14(16)11-15(13)19(4)10-9-18(2)3/h6-7,11,17H,5,8-10,12H2,1-4H3.
What are the key properties of N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 283.85 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 114851389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).