1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine

C14H24N2 — CID 115222199

IUPAC1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCCc1ccc(CNCC(C)(C)NC)cc1
InChIInChI=1S/C14H24N2/c1-5-12-6-8-13(9-7-12)10-16-11-14(2,3)15-4/h6-9,15-16H,5,10-11H2,1-4H3
InChIKeyHKTZMBIHGISGTE-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.34
Rot. Bonds6

About 1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine

1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115222199) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115222199
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCCc1ccc(CNCC(C)(C)NC)cc1
InChIInChI=1S/C14H24N2/c1-5-12-6-8-13(9-7-12)10-16-11-14(2,3)15-4/h6-9,15-16H,5,10-11H2,1-4H3
InChIKeyHKTZMBIHGISGTE-UHFFFAOYSA-N
XLogP2.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847859
3-[(4-ethylphenyl)methylamino]-2,2-dimethylpropanenitrile
CID 104587185
2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol
CID 103828079
N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine
CID 17206654
1-N-[2-(4-fluorophenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222407
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
1-N-[2-(4-ethylsulfanylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222457
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 106899543
N'-[(4-ethylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201878
2-bromo-N-[(4-ethylphenyl)methyl]ethanamine
CID 115572456
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222275

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (CID 115222199) is 1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is CCc1ccc(CNCC(C)(C)NC)cc1.
What is the InChIKey of 1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is HKTZMBIHGISGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-12-6-8-13(9-7-12)10-16-11-14(2,3)15-4/h6-9,15-16H,5,10-11H2,1-4H3.
What are the key properties of 1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115222199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).