N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine

C14H24N2 — CID 43272724

IUPACN-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)N(C)C(CN)c1cccc(C)c1
InChIInChI=1S/C14H24N2/c1-5-12(3)16(4)14(10-15)13-8-6-7-11(2)9-13/h6-9,12,14H,5,10,15H2,1-4H3
InChIKeyGXUWJHFFBIEHPK-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.73
Rot. Bonds5

About N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine

N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 43272724) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
PubChem CID43272724
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)N(C)C(CN)c1cccc(C)c1
InChIInChI=1S/C14H24N2/c1-5-12(3)16(4)14(10-15)13-8-6-7-11(2)9-13/h6-9,12,14H,5,10,15H2,1-4H3
InChIKeyGXUWJHFFBIEHPK-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

1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269372
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384268
N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 62003718
N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 43272751
1-N,1-N-dimethyl-1-(3-methylphenyl)butane-1,3-diamine
CID 116904868
3-[[2-amino-1-(3-methylphenyl)ethyl]-ethylamino]-2-methylpropanenitrile
CID 55020221
1-[3-(difluoromethyl)phenyl]-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 115526828
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 61453536
N-methyl-1-(3-methylphenyl)-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 114236533
N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 55210490

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine (CID 43272724) is N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine is CCC(C)N(C)C(CN)c1cccc(C)c1.
What is the InChIKey of N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is GXUWJHFFBIEHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-12(3)16(4)14(10-15)13-8-6-7-11(2)9-13/h6-9,12,14H,5,10,15H2,1-4H3.
What are the key properties of N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine?
N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-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-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43272724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).