1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine

C17H22ClNS — CID 63415364

IUPAC1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine
SMILESCCNC(Cc1ccc(CC)s1)Cc1ccccc1Cl
InChIInChI=1S/C17H22ClNS/c1-3-15-9-10-16(20-15)12-14(19-4-2)11-13-7-5-6-8-17(13)18/h5-10,14,19H,3-4,11-12H2,1-2H3
InChIKeySZMRDFVZTJUWRX-UHFFFAOYSA-N
MW307.89 g/mol
LogP4.73
Rot. Bonds7

About 1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine

1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine (PubChem CID 63415364) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine
PubChem CID63415364
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC Name1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine
SMILESCCNC(Cc1ccc(CC)s1)Cc1ccccc1Cl
InChIInChI=1S/C17H22ClNS/c1-3-15-9-10-16(20-15)12-14(19-4-2)11-13-7-5-6-8-17(13)18/h5-10,14,19H,3-4,11-12H2,1-2H3
InChIKeySZMRDFVZTJUWRX-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.89
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63417051
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 62603564
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
2-[(2-chlorophenyl)methyl]-5-ethylthiophene
CID 58178507
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
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N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine
CID 62604111
1-(2-chlorophenyl)-N-ethylhex-5-yn-2-amine
CID 63655696
1-(2-chlorophenyl)-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347786
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132130
N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 65127910
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine (CID 63415364) is 1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine is CCNC(Cc1ccc(CC)s1)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine?
The InChIKey is SZMRDFVZTJUWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-3-15-9-10-16(20-15)12-14(19-4-2)11-13-7-5-6-8-17(13)18/h5-10,14,19H,3-4,11-12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine?
1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine has a molecular weight of 307.89 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 63415364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).