1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

C19H19Cl2NOS — CID 17290312

IUPAC1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.Clc1ccccc1COc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C19H18ClNOS.ClH/c20-19-6-2-1-4-16(19)14-22-17-9-7-15(8-10-17)12-21-13-18-5-3-11-23-18;/h1-11,21H,12-14H2;1H
InChIKeyWGMZQQZKCBONMJ-UHFFFAOYSA-N
MW380.34 g/mol
LogP5.69
Rot. Bonds7

About 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 17290312) has the molecular formula C19H19Cl2NOS and a molecular weight of 380.34 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID17290312
Molecular FormulaC19H19Cl2NOS
Molecular Weight380.34 g/mol
Exact Mass379.06
IUPAC Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.Clc1ccccc1COc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C19H18ClNOS.ClH/c20-19-6-2-1-4-16(19)14-22-17-9-7-15(8-10-17)12-21-13-18-5-3-11-23-18;/h1-11,21H,12-14H2;1H
InChIKeyWGMZQQZKCBONMJ-UHFFFAOYSA-N
XLogP5.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.34
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290311
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721378
1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716133
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6461106
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
2-[4-[(thiophen-2-ylmethylamino)methyl]phenoxy]ethanol
CID 17213242
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211517
1-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798957
2-chloro-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126186662
2-[2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol;hydrochloride
CID 17155147

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 17290312) is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is Cl.Clc1ccccc1COc1ccc(CNCc2cccs2)cc1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is WGMZQQZKCBONMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNOS.ClH/c20-19-6-2-1-4-16(19)14-22-17-9-7-15(8-10-17)12-21-13-18-5-3-11-23-18;/h1-11,21H,12-14H2;1H.
What are the key properties of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 380.34 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 17290312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).