N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine

C16H28N2 — CID 62630254

IUPACN-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CCC(NCC)c1ccccc1C
InChIInChI=1S/C16H28N2/c1-5-12-18(4)13-11-16(17-6-2)15-10-8-7-9-14(15)3/h7-10,16-17H,5-6,11-13H2,1-4H3
InChIKeyAEJZHXRBFBXVKK-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.38
Rot. Bonds8

About N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine

N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine (PubChem CID 62630254) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
PubChem CID62630254
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(C)CCC(NCC)c1ccccc1C
InChIInChI=1S/C16H28N2/c1-5-12-18(4)13-11-16(17-6-2)15-10-8-7-9-14(15)3/h7-10,16-17H,5-6,11-13H2,1-4H3
InChIKeyAEJZHXRBFBXVKK-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(ethylamino)-3-(2-methylphenyl)propyl]-methylamino]propan-2-ol
CID 62623092
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
N'-methyl-N'-(3-methylbutyl)-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63493766
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(2-methylphenyl)-N-propylpropane-1,3-diamine
CID 63698802
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfanylethyl)-N-propylpropane-1,3-diamine
CID 115987446
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 64521861
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629425
N-ethyl-1-(2-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002194
N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63483080
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
1-(2-chlorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62643771
N'-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693986

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine (CID 62630254) is N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine is CCCN(C)CCC(NCC)c1ccccc1C.
What is the InChIKey of N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine?
The InChIKey is AEJZHXRBFBXVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-12-18(4)13-11-16(17-6-2)15-10-8-7-9-14(15)3/h7-10,16-17H,5-6,11-13H2,1-4H3.
What are the key properties of N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine?
N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62630254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).