(2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride

C18H18ClNOS — CID 172650511

IUPAC(2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride
SMILESCl.NCc1c(OCc2ccccc2)cccc1-c1ccsc1
InChIInChI=1S/C18H17NOS.ClH/c19-11-17-16(15-9-10-21-13-15)7-4-8-18(17)20-12-14-5-2-1-3-6-14;/h1-10,13H,11-12,19H2;1H
InChIKeyRNSYJNNGZDAGJG-UHFFFAOYSA-N
MW331.87 g/mol
LogP4.87
Rot. Bonds5

About (2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride

(2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride (PubChem CID 172650511) has the molecular formula C18H18ClNOS and a molecular weight of 331.87 g/mol. Its IUPAC name is (2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride
PubChem CID172650511
Molecular FormulaC18H18ClNOS
Molecular Weight331.87 g/mol
Exact Mass331.08
IUPAC Name(2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride
SMILESCl.NCc1c(OCc2ccccc2)cccc1-c1ccsc1
InChIInChI=1S/C18H17NOS.ClH/c19-11-17-16(15-9-10-21-13-15)7-4-8-18(17)20-12-14-5-2-1-3-6-14;/h1-10,13H,11-12,19H2;1H
InChIKeyRNSYJNNGZDAGJG-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 114318379
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
4-phenylmethoxy-3-thiophen-3-ylbenzaldehyde
CID 172650288
2-(aminomethyl)-6-phenylmethoxyphenol
CID 117330545
(2-methoxy-6-thiophen-3-ylphenyl)methanol
CID 172650507
3-(2,3,4-trimethyl-6-phenylmethoxyphenyl)thiophene
CID 18718071
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
2-(4-aminophenyl)-6-phenylmethoxyaniline
CID 68786338
3-phenylmethoxybenzene-1,2-diamine;hydrochloride
CID 172882825
2-(2-aminophenyl)-3-phenylmethoxyaniline
CID 68789108
4-(2-phenylmethoxyphenoxy)butan-1-amine;hydrochloride
CID 164512461
4-phenylmethoxyinden-1-one
CID 11356800

Frequently Asked Questions

What is the IUPAC name of (2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride?
The IUPAC name of (2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride (CID 172650511) is (2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride?
The canonical SMILES for (2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride is Cl.NCc1c(OCc2ccccc2)cccc1-c1ccsc1.
What is the InChIKey of (2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride?
The InChIKey is RNSYJNNGZDAGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS.ClH/c19-11-17-16(15-9-10-21-13-15)7-4-8-18(17)20-12-14-5-2-1-3-6-14;/h1-10,13H,11-12,19H2;1H.
What are the key properties of (2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride?
(2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride has a molecular weight of 331.87 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylmethoxy-6-thiophen-3-ylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 172650511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).