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

C14H24N2O — CID 62568765

IUPACN'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine
SMILESCOCC(C)N(C)CCCNc1ccccc1
InChIInChI=1S/C14H24N2O/c1-13(12-17-3)16(2)11-7-10-15-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3
InChIKeyGNUXMVQJTUFXFI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.46
Rot. Bonds8

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

N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine (PubChem CID 62568765) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine
PubChem CID62568765
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine
SMILESCOCC(C)N(C)CCCNc1ccccc1
InChIInChI=1S/C14H24N2O/c1-13(12-17-3)16(2)11-7-10-15-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3
InChIKeyGNUXMVQJTUFXFI-UHFFFAOYSA-N
XLogP2.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybutyl)aniline
CID 13042774
N'-methyl-N'-(3-methylbutyl)-N-phenylpropane-1,3-diamine
CID 62563455
2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191837
2-N-methyl-1-N-phenyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81068114
4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036365
2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 81068786
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
CID 62570612
2-(3-anilinopropyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236951
N'-methyl-N-phenyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81055583
N'-methyl-N-naphthalen-2-yl-N'-propan-2-ylpropane-1,3-diamine
CID 106048462
N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62554848
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763

Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine?
The IUPAC name of N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine (CID 62568765) is N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine is COCC(C)N(C)CCCNc1ccccc1.
What is the InChIKey of N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine?
The InChIKey is GNUXMVQJTUFXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(12-17-3)16(2)11-7-10-15-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3.
What are the key properties of N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine?
N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxypropan-2-yl)-N'-methyl-N-phenylpropane-1,3-diamine is sourced from PubChem (CID 62568765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).