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

C17H30N2 — CID 61436521

IUPAC2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
SMILESCCC(CC)CN(CC)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-15(6-2)13-19(7-3)14(4)17(18)16-11-9-8-10-12-16/h8-12,14-15,17H,5-7,13,18H2,1-4H3
InChIKeyVHEJAJCUAAPGGW-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.83
Rot. Bonds8

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

2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine (PubChem CID 61436521) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
PubChem CID61436521
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
SMILESCCC(CC)CN(CC)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-5-15(6-2)13-19(7-3)14(4)17(18)16-11-9-8-10-12-16/h8-12,14-15,17H,5-7,13,18H2,1-4H3
InChIKeyVHEJAJCUAAPGGW-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 43273646
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine
CID 63469585
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine
CID 63467588
2-N,2-N-bis(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 61377500
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine
CID 79477411
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 43274486
1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
CID 79476713
3-[ethyl(2-ethylbutyl)amino]-3-phenylpropanoic acid
CID 63074344
1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
CID 63406056

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine (CID 61436521) is 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine is CCC(CC)CN(CC)C(C)C(N)c1ccccc1.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine?
The InChIKey is VHEJAJCUAAPGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-5-15(6-2)13-19(7-3)14(4)17(18)16-11-9-8-10-12-16/h8-12,14-15,17H,5-7,13,18H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine?
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 61436521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).