N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine

C17H23NO2S — CID 62484389

IUPACN-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1OCCOCc1cccs1
InChIInChI=1S/C17H23NO2S/c1-14(2)18-12-15-6-3-4-8-17(15)20-10-9-19-13-16-7-5-11-21-16/h3-8,11,14,18H,9-10,12-13H2,1-2H3
InChIKeyZAVXBCHAQXOYNK-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.84
Rot. Bonds9

About N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine

N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 62484389) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID62484389
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1OCCOCc1cccs1
InChIInChI=1S/C17H23NO2S/c1-14(2)18-12-15-6-3-4-8-17(15)20-10-9-19-13-16-7-5-11-21-16/h3-8,11,14,18H,9-10,12-13H2,1-2H3
InChIKeyZAVXBCHAQXOYNK-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-prop-2-enoxyethoxy)phenyl]methyl]propan-2-amine
CID 62442654
N-[[2-[2-(2-propan-2-yloxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455414
N-[[2-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007247
N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326619
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-2-amine
CID 55160594
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 60892832
N-[[5-nitro-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60889783
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908281
N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine
CID 62433074
1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54798960
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine (CID 62484389) is N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1OCCOCc1cccs1.
What is the InChIKey of N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is ZAVXBCHAQXOYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-14(2)18-12-15-6-3-4-8-17(15)20-10-9-19-13-16-7-5-11-21-16/h3-8,11,14,18H,9-10,12-13H2,1-2H3.
What are the key properties of N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine?
N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 305.44 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(thiophen-2-ylmethoxy)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62484389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).