N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine

C14H24N2 — CID 62619570

IUPACN',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CC)CCC(N)c1ccc(C)cc1
InChIInChI=1S/C14H24N2/c1-4-16(5-2)11-10-14(15)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,15H2,1-3H3
InChIKeyICRJTHBRXVOWRO-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.73
Rot. Bonds6

About N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine

N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine (PubChem CID 62619570) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
PubChem CID62619570
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCN(CC)CCC(N)c1ccc(C)cc1
InChIInChI=1S/C14H24N2/c1-4-16(5-2)11-10-14(15)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,15H2,1-3H3
InChIKeyICRJTHBRXVOWRO-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992533
1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62618903
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
1-(3,4-difluorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 79086921
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619830
N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 63484319
N'-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 61448002
2-[[3-amino-3-(4-bromophenyl)propyl]-ethylamino]ethanol
CID 62619789
N',N'-diethyl-1-(2-fluoro-5-methylphenyl)propane-1,3-diamine
CID 79086739

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine (CID 62619570) is N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine is CCN(CC)CCC(N)c1ccc(C)cc1.
What is the InChIKey of N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is ICRJTHBRXVOWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-16(5-2)11-10-14(15)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,15H2,1-3H3.
What are the key properties of N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine?
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62619570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).