1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine

C18H32N2 — CID 63982925

IUPAC1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCc1ccc(C(NC)C(C)N(C)C(C)(C)CC)cc1
InChIInChI=1S/C18H32N2/c1-8-15-10-12-16(13-11-15)17(19-6)14(3)20(7)18(4,5)9-2/h10-14,17,19H,8-9H2,1-7H3
InChIKeyCSMYPNBNANNFBL-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.02
Rot. Bonds7

About 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine

1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine (PubChem CID 63982925) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
PubChem CID63982925
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCc1ccc(C(NC)C(C)N(C)C(C)(C)CC)cc1
InChIInChI=1S/C18H32N2/c1-8-15-10-12-16(13-11-15)17(19-6)14(3)20(7)18(4,5)9-2/h10-14,17,19H,8-9H2,1-7H3
InChIKeyCSMYPNBNANNFBL-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 63467800
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309571
2-N-cyclopentyl-2-N-ethyl-1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 63468460
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 66234272
1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66275433
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 82004948
1-(3,3-dimethylbutan-2-yl)-4-ethylbenzene
CID 59048816
(4-ethylphenyl)-(methylamino)methanethiol
CID 116954449
2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
CID 63465127
1-(4-ethylphenyl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79063641
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The IUPAC name of 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine (CID 63982925) is 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine is CCc1ccc(C(NC)C(C)N(C)C(C)(C)CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The InChIKey is CSMYPNBNANNFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-8-15-10-12-16(13-11-15)17(19-6)14(3)20(7)18(4,5)9-2/h10-14,17,19H,8-9H2,1-7H3.
What are the key properties of 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine?
1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 63982925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).