N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine

C13H22N2 — CID 16786109

IUPACN-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)C(C)C)cc1
InChIInChI=1S/C13H22N2/c1-10(2)15(4)13(9-14)12-7-5-11(3)6-8-12/h5-8,10,13H,9,14H2,1-4H3
InChIKeyDMVNDIKTOBLMAW-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.34
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine

N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 16786109) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID16786109
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)C(C)C)cc1
InChIInChI=1S/C13H22N2/c1-10(2)15(4)13(9-14)12-7-5-11(3)6-8-12/h5-8,10,13H,9,14H2,1-4H3
InChIKeyDMVNDIKTOBLMAW-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylphenyl)-N-pentan-2-ylethane-1,2-diamine
CID 43571950
3-[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]butanenitrile
CID 63225261
N-methyl-N-propan-2-yl-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
CID 16786678
N-methyl-N-propan-2-yl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 62495292
N-methyl-1-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 112657591
N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43264750
1-(3-bromo-4-methoxyphenyl)-N-methyl-N-propan-2-ylethane-1,2-diamine
CID 54905229
N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 43272751
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
1-[4-(dimethylamino)phenyl]-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 43569818
N,N-bis(2-methoxyethyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 60709846
1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43753470

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine (CID 16786109) is N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine is Cc1ccc(C(CN)N(C)C(C)C)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is DMVNDIKTOBLMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)15(4)13(9-14)12-7-5-11(3)6-8-12/h5-8,10,13H,9,14H2,1-4H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine?
N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.34, 4 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-ylethane-1,2-diamine is sourced from PubChem (CID 16786109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).