1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine

C16H28N2 — CID 79476713

IUPAC1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
SMILESCCC(C)CN(CC)C(c1ccccc1)C(C)N
InChIInChI=1S/C16H28N2/c1-5-13(3)12-18(6-2)16(14(4)17)15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12,17H2,1-4H3
InChIKeyVSYNHTHKEPLRMO-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.44
Rot. Bonds7

About 1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine

1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine (PubChem CID 79476713) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
PubChem CID79476713
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
SMILESCCC(C)CN(CC)C(c1ccccc1)C(C)N
InChIInChI=1S/C16H28N2/c1-5-13(3)12-18(6-2)16(14(4)17)15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12,17H2,1-4H3
InChIKeyVSYNHTHKEPLRMO-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine
CID 79477378
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylbutyl)propane-1,2-diamine
CID 79477287
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
CID 63406056
1-N-ethyl-1-(2-methoxyphenyl)-1-N-(2-methylbutyl)butane-1,2-diamine
CID 79481507
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline
CID 79476910
1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
CID 82960381
2-[(2-amino-1-phenylpropyl)-ethylamino]-N-methylacetamide
CID 55017596
N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine
CID 79480923
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
1-N-ethyl-1-N-(2-methylbutyl)-1-thiophen-3-ylbutane-1,2-diamine
CID 79477887

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine (CID 79476713) is 1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine is CCC(C)CN(CC)C(c1ccccc1)C(C)N.
What is the InChIKey of 1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine?
The InChIKey is VSYNHTHKEPLRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-13(3)12-18(6-2)16(14(4)17)15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12,17H2,1-4H3.
What are the key properties of 1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine?
1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 79476713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).