N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride

C14H17Cl2NS — CID 71750260

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
SMILESCN(CCc1cccs1)Cc1ccccc1Cl.Cl
InChIInChI=1S/C14H16ClNS.ClH/c1-16(9-8-13-6-4-10-17-13)11-12-5-2-3-7-14(12)15;/h2-7,10H,8-9,11H2,1H3;1H
InChIKeyVHACBHIPXWCTEL-UHFFFAOYSA-N
MW302.27 g/mol
LogP4.50
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride

N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride (PubChem CID 71750260) has the molecular formula C14H17Cl2NS and a molecular weight of 302.27 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
PubChem CID71750260
Molecular FormulaC14H17Cl2NS
Molecular Weight302.27 g/mol
Exact Mass301.05
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
SMILESCN(CCc1cccs1)Cc1ccccc1Cl.Cl
InChIInChI=1S/C14H16ClNS.ClH/c1-16(9-8-13-6-4-10-17-13)11-12-5-2-3-7-14(12)15;/h2-7,10H,8-9,11H2,1H3;1H
InChIKeyVHACBHIPXWCTEL-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556387
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
1-(2-chlorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 110733491
2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78788041
N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine
CID 115464235
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 79476185
N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 52572631
4-[(2-chlorophenyl)methyl-methylamino]-1-thiophen-2-ylbutan-1-one
CID 60692201

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride (CID 71750260) is N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride is CN(CCc1cccs1)Cc1ccccc1Cl.Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is VHACBHIPXWCTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS.ClH/c1-16(9-8-13-6-4-10-17-13)11-12-5-2-3-7-14(12)15;/h2-7,10H,8-9,11H2,1H3;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride?
N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 302.27 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 71750260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).