1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine

C16H18ClNS — CID 79978996

IUPAC1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
SMILESCC(NCc1cccc(C2CC2)c1)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClNS/c1-11(15-7-8-16(17)19-15)18-10-12-3-2-4-14(9-12)13-5-6-13/h2-4,7-9,11,13,18H,5-6,10H2,1H3
InChIKeyDMEPSFGBZMYLDH-UHFFFAOYSA-N
MW291.85 g/mol
LogP5.13
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine (PubChem CID 79978996) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
PubChem CID79978996
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
SMILESCC(NCc1cccc(C2CC2)c1)c1ccc(Cl)s1
InChIInChI=1S/C16H18ClNS/c1-11(15-7-8-16(17)19-15)18-10-12-3-2-4-14(9-12)13-5-6-13/h2-4,7-9,11,13,18H,5-6,10H2,1H3
InChIKeyDMEPSFGBZMYLDH-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.85
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398469
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]benzamide
CID 43664726
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356483
N-[(3-bromo-4-methylphenyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 105401219
1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43427117
1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79979302
(1R)-1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81354119
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
1-(5-chlorothiophen-2-yl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 43432651
1-(5-chlorothiophen-2-yl)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]ethanamine
CID 43612762
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CID 43432574
N-[(3-cyclopropylphenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 79969399

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine (CID 79978996) is 1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine is CC(NCc1cccc(C2CC2)c1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine?
The InChIKey is DMEPSFGBZMYLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-11(15-7-8-16(17)19-15)18-10-12-3-2-4-14(9-12)13-5-6-13/h2-4,7-9,11,13,18H,5-6,10H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine has a molecular weight of 291.85 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine is sourced from PubChem (CID 79978996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).