N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine

C16H28N2O — CID 62613937

IUPACN'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccccc1)C(C)COC
InChIInChI=1S/C16H28N2O/c1-5-18(14(2)13-19-4)12-11-16(17-3)15-9-7-6-8-10-15/h6-10,14,16-17H,5,11-13H2,1-4H3
InChIKeyIBXDPUYZFLQMDD-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.69
Rot. Bonds9

About N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine

N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine (PubChem CID 62613937) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
PubChem CID62613937
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccccc1)C(C)COC
InChIInChI=1S/C16H28N2O/c1-5-18(14(2)13-19-4)12-11-16(17-3)15-9-7-6-8-10-15/h6-10,14,16-17H,5,11-13H2,1-4H3
InChIKeyIBXDPUYZFLQMDD-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643465
1-(3-bromophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62617737
N-methyl-N'-(2-methylpropyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62613776
N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 55140895
1-methoxy-3-[methyl-[3-(methylamino)-3-phenylpropyl]amino]propan-2-ol
CID 62612299
N'-(1-methoxypropan-2-yl)-N,N'-dimethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 55099227
N-ethyl-N'-(2-methoxyethyl)-1-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 82953260
N'-ethyl-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62619243
N'-butan-2-yl-1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N-methylpropane-1,3-diamine
CID 62645417
1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643467
N-methyl-1-phenyl-3-propan-2-yloxypropan-1-amine
CID 114998457
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine
CID 62618075

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine (CID 62613937) is N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine is CCN(CCC(NC)c1ccccc1)C(C)COC.
What is the InChIKey of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is IBXDPUYZFLQMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-18(14(2)13-19-4)12-11-16(17-3)15-9-7-6-8-10-15/h6-10,14,16-17H,5,11-13H2,1-4H3.
What are the key properties of N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine?
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(1-methoxypropan-2-yl)-N-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62613937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).