N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine

C14H24N2 — CID 62617690

IUPACN'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCc1ccc(C(N)CCN(C)C(C)C)cc1
InChIInChI=1S/C14H24N2/c1-11(2)16(4)10-9-14(15)13-7-5-12(3)6-8-13/h5-8,11,14H,9-10,15H2,1-4H3
InChIKeyMRTQBXJJFPLQOM-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.73
Rot. Bonds5

About N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine

N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62617690) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62617690
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCc1ccc(C(N)CCN(C)C(C)C)cc1
InChIInChI=1S/C14H24N2/c1-11(2)16(4)10-9-14(15)13-7-5-12(3)6-8-13/h5-8,11,14H,9-10,15H2,1-4H3
InChIKeyMRTQBXJJFPLQOM-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619830
N',N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62619570
2-[[3-amino-3-(4-methylphenyl)propyl]-methylamino]-2-methylpropan-1-ol
CID 113476393
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 62644481
1-(4-methylphenyl)-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62618903
3-ethoxy-1-(4-methylphenyl)propan-1-amine
CID 115601658
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313080
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937
1-(4-methylphenyl)-3-methylsulfonylpropan-1-amine
CID 62608341
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 55011123

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine (CID 62617690) is N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine is Cc1ccc(C(N)CCN(C)C(C)C)cc1.
What is the InChIKey of N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is MRTQBXJJFPLQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)16(4)10-9-14(15)13-7-5-12(3)6-8-13/h5-8,11,14H,9-10,15H2,1-4H3.
What are the key properties of N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62617690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).