N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride

C16H21Cl2NOS — CID 2941503

IUPACN-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NCc1cc(Cl)ccc1OCc1cccs1.Cl
InChIInChI=1S/C16H20ClNOS.ClH/c1-16(2,3)18-10-12-9-13(17)6-7-15(12)19-11-14-5-4-8-20-14;/h4-9,18H,10-11H2,1-3H3;1H
InChIKeyWQVVQHDEQGLPLG-UHFFFAOYSA-N
MW346.32 g/mol
LogP5.29
Rot. Bonds5

About N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride

N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 2941503) has the molecular formula C16H21Cl2NOS and a molecular weight of 346.32 g/mol. Its IUPAC name is N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
PubChem CID2941503
Molecular FormulaC16H21Cl2NOS
Molecular Weight346.32 g/mol
Exact Mass345.07
IUPAC NameN-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NCc1cc(Cl)ccc1OCc1cccs1.Cl
InChIInChI=1S/C16H20ClNOS.ClH/c1-16(2,3)18-10-12-9-13(17)6-7-15(12)19-11-14-5-4-8-20-14;/h4-9,18H,10-11H2,1-3H3;1H
InChIKeyWQVVQHDEQGLPLG-UHFFFAOYSA-N
XLogP5.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.32
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17289160
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823
N-[[5-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056881
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 17290374
N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696673
N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63500315
N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 63056712
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
CID 63056878
N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326619
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 60882928
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine
CID 17210867

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride (CID 2941503) is N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride is CC(C)(C)NCc1cc(Cl)ccc1OCc1cccs1.Cl.
What is the InChIKey of N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is WQVVQHDEQGLPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS.ClH/c1-16(2,3)18-10-12-9-13(17)6-7-15(12)19-11-14-5-4-8-20-14;/h4-9,18H,10-11H2,1-3H3;1H.
What are the key properties of N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 346.32 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 2941503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).