1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine

C13H23N3 — CID 62066969

IUPAC1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NC(CN)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H23N3/c1-10(2)15-13(9-14)11-5-7-12(8-6-11)16(3)4/h5-8,10,13,15H,9,14H2,1-4H3
InChIKeyQAYVYQYCCMZDOX-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.75
Rot. Bonds5

About 1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine

1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine (PubChem CID 62066969) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
PubChem CID62066969
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NC(CN)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H23N3/c1-10(2)15-13(9-14)11-5-7-12(8-6-11)16(3)4/h5-8,10,13,15H,9,14H2,1-4H3
InChIKeyQAYVYQYCCMZDOX-UHFFFAOYSA-N
XLogP1.75
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193818
3-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]butan-1-ol
CID 83177263
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190
1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine
CID 65380712
1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070144
5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol
CID 107317121
1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377987
1-(3,5-dichlorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 62070322
N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine
CID 62064771
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066972

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine (CID 62066969) is 1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine is CC(C)NC(CN)c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine?
The InChIKey is QAYVYQYCCMZDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)15-13(9-14)11-5-7-12(8-6-11)16(3)4/h5-8,10,13,15H,9,14H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine?
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62066969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).