1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

C18H25NOS — CID 54798960

IUPAC1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCCCCCOc1ccccc1CNCc1cccs1
InChIInChI=1S/C18H25NOS/c1-2-3-4-7-12-20-18-11-6-5-9-16(18)14-19-15-17-10-8-13-21-17/h5-6,8-11,13,19H,2-4,7,12,14-15H2,1H3
InChIKeyHSKVSXXZDSZHOJ-UHFFFAOYSA-N
MW303.47 g/mol
LogP5.00
Rot. Bonds10

About 1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 54798960) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID54798960
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCCCCCOc1ccccc1CNCc1cccs1
InChIInChI=1S/C18H25NOS/c1-2-3-4-7-12-20-18-11-6-5-9-16(18)14-19-15-17-10-8-13-21-17/h5-6,8-11,13,19H,2-4,7,12,14-15H2,1H3
InChIKeyHSKVSXXZDSZHOJ-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 55.00
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-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39361592
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 70896653
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002
1-[(2-heptoxyphenyl)methylamino]propan-2-ol
CID 54849266
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955
1-(3-methylphenyl)-N-[(2-octoxyphenyl)methyl]methanamine
CID 54804099

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 54798960) is 1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is CCCCCCOc1ccccc1CNCc1cccs1.
What is the InChIKey of 1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is HSKVSXXZDSZHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-2-3-4-7-12-20-18-11-6-5-9-16(18)14-19-15-17-10-8-13-21-17/h5-6,8-11,13,19H,2-4,7,12,14-15H2,1H3.
What are the key properties of 1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 303.47 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 54798960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).