N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine

C17H22ClNS — CID 80645048

IUPACN-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(CC)ccc1CC)c1sccc1Cl
InChIInChI=1S/C17H22ClNS/c1-4-12-7-8-13(5-2)14(11-12)16(19-6-3)17-15(18)9-10-20-17/h7-11,16,19H,4-6H2,1-3H3
InChIKeyVEWAPVHRJAKCCN-UHFFFAOYSA-N
MW307.89 g/mol
LogP5.23
Rot. Bonds6

About N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine (PubChem CID 80645048) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine
PubChem CID80645048
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC NameN-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(CC)ccc1CC)c1sccc1Cl
InChIInChI=1S/C17H22ClNS/c1-4-12-7-8-13(5-2)14(11-12)16(19-6-3)17-15(18)9-10-20-17/h7-11,16,19H,4-6H2,1-3H3
InChIKeyVEWAPVHRJAKCCN-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.89
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylthiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine
CID 103401153
N-[(5-bromothiophen-3-yl)-(2,5-diethylphenyl)methyl]ethanamine
CID 107961012
N-[(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 80645044
N-[(3-chlorothiophen-2-yl)-(2,4-dibromophenyl)methyl]ethanamine
CID 107947216
N-[(2,5-dichlorophenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 79985462
N-[(3-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]ethanamine
CID 80644379
N-[(3-chlorothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107515360
N-[(2-bromo-5-fluorophenyl)-(3-chlorothiophen-2-yl)methyl]ethanamine
CID 80528998
N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
CID 80645264
N-[(3-chlorothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 80529121
N-[(3-chlorothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 80528946
N-[(3-chlorothiophen-2-yl)-(3-propylphenyl)methyl]ethanamine
CID 105050526

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine (CID 80645048) is N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine is CCNC(c1cc(CC)ccc1CC)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine?
The InChIKey is VEWAPVHRJAKCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-4-12-7-8-13(5-2)14(11-12)16(19-6-3)17-15(18)9-10-20-17/h7-11,16,19H,4-6H2,1-3H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine has a molecular weight of 307.89 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(2,5-diethylphenyl)methyl]ethanamine is sourced from PubChem (CID 80645048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).