N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine

C17H30N2O — CID 81074601

IUPACN,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
SMILESCNC(CCN(C)CCOC(C)C)c1cccc(C)c1
InChIInChI=1S/C17H30N2O/c1-14(2)20-12-11-19(5)10-9-17(18-4)16-8-6-7-15(3)13-16/h6-8,13-14,17-18H,9-12H2,1-5H3
InChIKeyJBENCRSOWNIQPL-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.00
Rot. Bonds9

About N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine

N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine (PubChem CID 81074601) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
PubChem CID81074601
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
SMILESCNC(CCN(C)CCOC(C)C)c1cccc(C)c1
InChIInChI=1S/C17H30N2O/c1-14(2)20-12-11-19(5)10-9-17(18-4)16-8-6-7-15(3)13-16/h6-8,13-14,17-18H,9-12H2,1-5H3
InChIKeyJBENCRSOWNIQPL-UHFFFAOYSA-N
XLogP3.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074249
N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine
CID 78944157
N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
CID 62613615
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
CID 114998457
N-ethyl-N'-methyl-1-(3-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 55098067
1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81074618
N-methyl-1-(3-methylphenyl)hex-4-yn-1-amine
CID 104804760
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
methyl 4-(methylamino)-4-(3-methylphenyl)butanoate
CID 116955565
N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 55140895

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine (CID 81074601) is N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine is CNC(CCN(C)CCOC(C)C)c1cccc(C)c1.
What is the InChIKey of N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The InChIKey is JBENCRSOWNIQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)20-12-11-19(5)10-9-17(18-4)16-8-6-7-15(3)13-16/h6-8,13-14,17-18H,9-12H2,1-5H3.
What are the key properties of N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine is sourced from PubChem (CID 81074601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).