N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine

C16H26N2 — CID 43568902

IUPACN-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)C(C)C2CC2)c(C)c1
InChIInChI=1S/C16H26N2/c1-11-5-8-15(12(2)9-11)16(10-17)18(4)13(3)14-6-7-14/h5,8-9,13-14,16H,6-7,10,17H2,1-4H3
InChIKeyZAPREODNJNCZPE-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.03
Rot. Bonds5

About N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine

N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine (PubChem CID 43568902) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
PubChem CID43568902
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)C(C)C2CC2)c(C)c1
InChIInChI=1S/C16H26N2/c1-11-5-8-15(12(2)9-11)16(10-17)18(4)13(3)14-6-7-14/h5,8-9,13-14,16H,6-7,10,17H2,1-4H3
InChIKeyZAPREODNJNCZPE-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N-methyl-N-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000948
1-(4-tert-butylphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568912
1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63879248
1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568967
N-(1-cyclopropylethyl)-1-(2-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 43568904
1-(4-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568908
1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472208
3-cyclopropyl-3-(2,4-dimethylphenyl)propan-1-amine
CID 82076833
1-(3-chlorophenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568892
1-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568969
1-(2,4-dimethylphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79308718
2-(2,4-dimethylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494712

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine (CID 43568902) is N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine is Cc1ccc(C(CN)N(C)C(C)C2CC2)c(C)c1.
What is the InChIKey of N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is ZAPREODNJNCZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-5-8-15(12(2)9-11)16(10-17)18(4)13(3)14-6-7-14/h5,8-9,13-14,16H,6-7,10,17H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine?
N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-1-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 43568902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).