N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine

C18H31NO2 — CID 105349537

IUPACN-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine
SMILESCC(C)NCC(C)c1ccc(COCCOC(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-14(2)19-12-16(5)18-8-6-17(7-9-18)13-20-10-11-21-15(3)4/h6-9,14-16,19H,10-13H2,1-5H3
InChIKeyAIUWJAMUVMNPQQ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.73
Rot. Bonds10

About N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine

N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine (PubChem CID 105349537) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine
PubChem CID105349537
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine
SMILESCC(C)NCC(C)c1ccc(COCCOC(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-14(2)19-12-16(5)18-8-6-17(7-9-18)13-20-10-11-21-15(3)4/h6-9,14-16,19H,10-13H2,1-5H3
InChIKeyAIUWJAMUVMNPQQ-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.73
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-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine
CID 105349506
2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 105349131
N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351077
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]ethanamine
CID 62455416
(2S)-1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethoxymethyl)phenoxy]propan-2-ol
CID 94005035
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770
4-(2-propan-2-yloxyethoxymethyl)benzonitrile
CID 24700236
N-[[4-(2-propan-2-yloxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077554
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine
CID 105350650
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine?
The IUPAC name of N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine (CID 105349537) is N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine?
The canonical SMILES for N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine is CC(C)NCC(C)c1ccc(COCCOC(C)C)cc1.
What is the InChIKey of N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine?
The InChIKey is AIUWJAMUVMNPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)19-12-16(5)18-8-6-17(7-9-18)13-20-10-11-21-15(3)4/h6-9,14-16,19H,10-13H2,1-5H3.
What are the key properties of N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine?
N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105349537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).