N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine

C15H26N2O — CID 60694773

IUPACN'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
SMILESCC(C)OCCNCCCN(C)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-14(2)18-13-11-16-10-7-12-17(3)15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3
InChIKeyUCIORTSJNUZZDY-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.53
Rot. Bonds9

About N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine

N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine (PubChem CID 60694773) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
PubChem CID60694773
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine
SMILESCC(C)OCCNCCCN(C)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-14(2)18-13-11-16-10-7-12-17(3)15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3
InChIKeyUCIORTSJNUZZDY-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.53
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'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine
CID 61483583
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
2-[6-(N-methylanilino)hexylamino]ethanol
CID 70247662
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
1-butoxy-3-[3-(N-methylanilino)propylamino]propan-2-ol
CID 107262456
6-[2-(N-methylanilino)ethylamino]hexan-1-ol
CID 70258646
N-(1-cyclopropylethyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 43192316
N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 107006435
N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide;hydroiodide
CID 110033782
2-N-[3-(N-methylanilino)propyl]propane-1,2-diamine
CID 103387090
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide
CID 43089244

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine (CID 60694773) is N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine is CC(C)OCCNCCCN(C)c1ccccc1.
What is the InChIKey of N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The InChIKey is UCIORTSJNUZZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14(2)18-13-11-16-10-7-12-17(3)15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3.
What are the key properties of N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine?
N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-N-(2-propan-2-yloxyethyl)propane-1,3-diamine is sourced from PubChem (CID 60694773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).