1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine

C15H26N2 — CID 79063158

IUPAC1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
SMILESCCNC(c1ccccc1)C(C)(CC)N(C)C
InChIInChI=1S/C15H26N2/c1-6-15(3,17(4)5)14(16-7-2)13-11-9-8-10-12-13/h8-12,14,16H,6-7H2,1-5H3
InChIKeyYEXVASHQPNDSQK-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.07
Rot. Bonds6

About 1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine

1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine (PubChem CID 79063158) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
PubChem CID79063158
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
SMILESCCNC(c1ccccc1)C(C)(CC)N(C)C
InChIInChI=1S/C15H26N2/c1-6-15(3,17(4)5)14(16-7-2)13-11-9-8-10-12-13/h8-12,14,16H,6-7H2,1-5H3
InChIKeyYEXVASHQPNDSQK-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine
CID 116544670
2-N,2-N,2-trimethyl-1-(4-propan-2-ylphenyl)-1-N-propylbutane-1,2-diamine
CID 79057289
1-N-ethyl-2-N,2-N,2-trimethyl-1-(2-propoxyphenyl)butane-1,2-diamine
CID 104660381
1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 63193468
1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064340
1-(2-amino-3-pyridinyl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064224
1-(1-benzothiophen-7-yl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 81154263
1-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 104738429
1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine
CID 63983572
1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79064609
N-ethyl-2-(4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 64769741
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine (CID 79063158) is 1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine is CCNC(c1ccccc1)C(C)(CC)N(C)C.
What is the InChIKey of 1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine?
The InChIKey is YEXVASHQPNDSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-15(3,17(4)5)14(16-7-2)13-11-9-8-10-12-13/h8-12,14,16H,6-7H2,1-5H3.
What are the key properties of 1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine?
1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine is sourced from PubChem (CID 79063158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).