1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine

C18H32N2 — CID 63468837

IUPAC1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
SMILESCCNC(CN(C)C(CC)CC)c1ccc(C)c(C)c1
InChIInChI=1S/C18H32N2/c1-7-17(8-2)20(6)13-18(19-9-3)16-11-10-14(4)15(5)12-16/h10-12,17-19H,7-9,13H2,1-6H3
InChIKeyZXOOIBLJOWQODK-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.07
Rot. Bonds8

About 1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine

1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 63468837) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
PubChem CID63468837
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
SMILESCCNC(CN(C)C(CC)CC)c1ccc(C)c(C)c1
InChIInChI=1S/C18H32N2/c1-7-17(8-2)20(6)13-18(19-9-3)16-11-10-14(4)15(5)12-16/h10-12,17-19H,7-9,13H2,1-6H3
InChIKeyZXOOIBLJOWQODK-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79092535
N'-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N,N'-diethylethane-1,2-diamine
CID 63955360
1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43488017
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
1-(3,4-dimethylphenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105140242
2-butylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64611504
1-(3,4-dimethylphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107762984
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
1-(3,4-dimethylphenyl)-N-ethyl-2-pyrimidin-2-ylsulfanylethanamine
CID 64650599
3-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105437

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine (CID 63468837) is 1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine is CCNC(CN(C)C(CC)CC)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is ZXOOIBLJOWQODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-17(8-2)20(6)13-18(19-9-3)16-11-10-14(4)15(5)12-16/h10-12,17-19H,7-9,13H2,1-6H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 63468837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).