N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine

C14H25N3 — CID 66916520

IUPACN'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine
SMILESCNCCNC(C)(C)c1ccccc1N(C)C
InChIInChI=1S/C14H25N3/c1-14(2,16-11-10-15-3)12-8-6-7-9-13(12)17(4)5/h6-9,15-16H,10-11H2,1-5H3
InChIKeyQMUITSWYROFPKC-UHFFFAOYSA-N
MW235.38 g/mol
LogP1.80
Rot. Bonds6

About N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine

N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine (PubChem CID 66916520) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine
PubChem CID66916520
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine
SMILESCNCCNC(C)(C)c1ccccc1N(C)C
InChIInChI=1S/C14H25N3/c1-14(2,16-11-10-15-3)12-8-6-7-9-13(12)17(4)5/h6-9,15-16H,10-11H2,1-5H3
InChIKeyQMUITSWYROFPKC-UHFFFAOYSA-N
XLogP1.80
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 161110367
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bis[2-(dimethylamino)phenyl]-phenylmethanol
CID 18702748
N'-(2-tert-butylphenyl)sulfanyl-N,N'-dimethylethane-1,2-diamine
CID 170047151
1-N,2-N,2-N-trimethylbenzene-1,2-diamine
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CID 43726650
N'-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
CID 83543223
3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine
CID 142384249
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 155291177
N'-(2-bromophenyl)-N,N'-dimethylmethanediamine
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CID 21311748

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine (CID 66916520) is N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine is CNCCNC(C)(C)c1ccccc1N(C)C.
What is the InChIKey of N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine?
The InChIKey is QMUITSWYROFPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(2,16-11-10-15-3)12-8-6-7-9-13(12)17(4)5/h6-9,15-16H,10-11H2,1-5H3.
What are the key properties of N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine?
N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(dimethylamino)phenyl]propan-2-yl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 66916520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).