N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride

C19H19Cl2NOS — CID 17290374

IUPACN-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.Clc1ccc(OCc2ccccc2)c(CNCc2cccs2)c1
InChIInChI=1S/C19H18ClNOS.ClH/c20-17-8-9-19(22-14-15-5-2-1-3-6-15)16(11-17)12-21-13-18-7-4-10-23-18;/h1-11,21H,12-14H2;1H
InChIKeyFJGFYMYPFCEMLI-UHFFFAOYSA-N
MW380.34 g/mol
LogP5.69
Rot. Bonds7

About N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 17290374) has the molecular formula C19H19Cl2NOS and a molecular weight of 380.34 g/mol. Its IUPAC name is N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
PubChem CID17290374
Molecular FormulaC19H19Cl2NOS
Molecular Weight380.34 g/mol
Exact Mass379.06
IUPAC NameN-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.Clc1ccc(OCc2ccccc2)c(CNCc2cccs2)c1
InChIInChI=1S/C19H18ClNOS.ClH/c20-17-8-9-19(22-14-15-5-2-1-3-6-15)16(11-17)12-21-13-18-7-4-10-23-18;/h1-11,21H,12-14H2;1H
InChIKeyFJGFYMYPFCEMLI-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

N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290314
1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 2941503
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine;dihydrochloride
CID 17215547
1-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 4716154
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17290311
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720934
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]cyclopentanamine;hydrochloride
CID 17289738
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 17331689
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-thiophen-2-ylmethanamine
CID 66535171

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride (CID 17290374) is N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride is Cl.Clc1ccc(OCc2ccccc2)c(CNCc2cccs2)c1.
What is the InChIKey of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is FJGFYMYPFCEMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNOS.ClH/c20-17-8-9-19(22-14-15-5-2-1-3-6-15)16(11-17)12-21-13-18-7-4-10-23-18;/h1-11,21H,12-14H2;1H.
What are the key properties of N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride?
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;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 N-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 17290374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).