1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine

C19H34N2 — CID 63983572

IUPAC1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine
SMILESCCNC(c1ccccc1)C(C(C)C)N(C)C(C)(C)CC
InChIInChI=1S/C19H34N2/c1-8-19(5,6)21(7)18(15(3)4)17(20-9-2)16-13-11-10-12-14-16/h10-15,17-18,20H,8-9H2,1-7H3
InChIKeyUGVNNCAOSAEZSF-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.48
Rot. Bonds8

About 1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine

1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine (PubChem CID 63983572) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine
PubChem CID63983572
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine
SMILESCCNC(c1ccccc1)C(C(C)C)N(C)C(C)(C)CC
InChIInChI=1S/C19H34N2/c1-8-19(5,6)21(7)18(15(3)4)17(20-9-2)16-13-11-10-12-14-16/h10-15,17-18,20H,8-9H2,1-7H3
InChIKeyUGVNNCAOSAEZSF-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617594
1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 62618624
1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
CID 79063158
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
2,2-dimethyl-N-(2-methyl-1-phenylpropyl)butan-1-amine
CID 103460399
N,N'-diethyl-2-methyl-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62619592
N-ethyl-N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylpropane-1,3-diamine
CID 115987569
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
N-ethyl-3-methyl-2-(3-methylbutoxy)-1-phenylbutan-1-amine
CID 63473474
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
2-methyl-1-[(2-methyl-1-phenylpropyl)amino]butan-2-ol
CID 65108431
(2S)-N-ethyl-4,4-diphenylbutan-2-amine
CID 92981582

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine (CID 63983572) is 1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine is CCNC(c1ccccc1)C(C(C)C)N(C)C(C)(C)CC.
What is the InChIKey of 1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine?
The InChIKey is UGVNNCAOSAEZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-8-19(5,6)21(7)18(15(3)4)17(20-9-2)16-13-11-10-12-14-16/h10-15,17-18,20H,8-9H2,1-7H3.
What are the key properties of 1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine?
1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine has a molecular weight of 290.49 g/mol, XLogP of 4.48, 8 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,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine is sourced from PubChem (CID 63983572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).