1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine

C15H26N2 — CID 43309968

IUPAC1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
SMILESCCCN(C)C(C)C(N)c1ccc(CC)cc1
InChIInChI=1S/C15H26N2/c1-5-11-17(4)12(3)15(16)14-9-7-13(6-2)8-10-14/h7-10,12,15H,5-6,11,16H2,1-4H3
InChIKeyYWYZFTQLDJAECD-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.98
Rot. Bonds6

About 1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine

1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine (PubChem CID 43309968) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
PubChem CID43309968
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
SMILESCCCN(C)C(C)C(N)c1ccc(CC)cc1
InChIInChI=1S/C15H26N2/c1-5-11-17(4)12(3)15(16)14-9-7-13(6-2)8-10-14/h7-10,12,15H,5-6,11,16H2,1-4H3
InChIKeyYWYZFTQLDJAECD-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 60890609
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
2-N-(cyclobutylmethyl)-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55125992
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
1-(4-ethylphenyl)-2-N-methyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61431442
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
1-(4-ethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 43094884
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65486259
2-N-ethyl-2-N-(2-ethylbutyl)-1-(4-ethylphenyl)propane-1,2-diamine
CID 63469585
2-N-ethyl-1-(4-ethylphenyl)-2-N-(2-methylbutyl)propane-1,2-diamine
CID 79477411
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine?
The IUPAC name of 1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine (CID 43309968) is 1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine is CCCN(C)C(C)C(N)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine?
The InChIKey is YWYZFTQLDJAECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-11-17(4)12(3)15(16)14-9-7-13(6-2)8-10-14/h7-10,12,15H,5-6,11,16H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine?
1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 43309968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).