(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride

C13H24ClN3 — CID 171207945

IUPAC(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride
SMILESCCN(CC)c1ccc([C@H](N)CCN)cc1.Cl
InChIInChI=1S/C13H23N3.ClH/c1-3-16(4-2)12-7-5-11(6-8-12)13(15)9-10-14;/h5-8,13H,3-4,9-10,14-15H2,1-2H3;1H/t13-;/m1./s1
InChIKeyIRUWTCYEGOOMLG-BTQNPOSSSA-N
MW257.81 g/mol
LogP2.30
Rot. Bonds6

About (1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride

(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride (PubChem CID 171207945) has the molecular formula C13H24ClN3 and a molecular weight of 257.81 g/mol. Its IUPAC name is (1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride
PubChem CID171207945
Molecular FormulaC13H24ClN3
Molecular Weight257.81 g/mol
Exact Mass257.17
IUPAC Name(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride
SMILESCCN(CC)c1ccc([C@H](N)CCN)cc1.Cl
InChIInChI=1S/C13H23N3.ClH/c1-3-16(4-2)12-7-5-11(6-8-12)13(15)9-10-14;/h5-8,13H,3-4,9-10,14-15H2,1-2H3;1H/t13-;/m1./s1
InChIKeyIRUWTCYEGOOMLG-BTQNPOSSSA-N
XLogP2.30
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride 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

4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline
CID 171227521
4-[(1S)-1-amino-3-methylbutyl]-N,N-diethylaniline;hydrochloride
CID 171227543
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-N,N-diethylaniline;hydrochloride
CID 171227547
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
methyl (3S)-3-amino-3-[4-(diethylamino)phenyl]propanoate;hydrochloride
CID 171242319
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
CID 66511663
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
methyl (3S)-3-amino-3-[4-(diethylamino)phenyl]propanoate
CID 165494439
(1R)-1-(4-fluorophenyl)propane-1,3-diamine;hydrochloride
CID 171199114

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride?
The IUPAC name of (1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride (CID 171207945) is (1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride is CCN(CC)c1ccc([C@H](N)CCN)cc1.Cl.
What is the InChIKey of (1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride?
The InChIKey is IRUWTCYEGOOMLG-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H23N3.ClH/c1-3-16(4-2)12-7-5-11(6-8-12)13(15)9-10-14;/h5-8,13H,3-4,9-10,14-15H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of (1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride?
(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride has a molecular weight of 257.81 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171207945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).