1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine

C17H22ClNS — CID 63417307

IUPAC1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1)Cc1ccc(Cl)s1
InChIInChI=1S/C17H22ClNS/c1-2-12-19-15(13-16-10-11-17(18)20-16)9-8-14-6-4-3-5-7-14/h3-7,10-11,15,19H,2,8-9,12-13H2,1H3
InChIKeyWQEFRVFBBHCERA-UHFFFAOYSA-N
MW307.89 g/mol
LogP4.95
Rot. Bonds8

About 1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine

1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine (PubChem CID 63417307) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
PubChem CID63417307
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC Name1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccccc1)Cc1ccc(Cl)s1
InChIInChI=1S/C17H22ClNS/c1-2-12-19-15(13-16-10-11-17(18)20-16)9-8-14-6-4-3-5-7-14/h3-7,10-11,15,19H,2,8-9,12-13H2,1H3
InChIKeyWQEFRVFBBHCERA-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.89
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417309
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 63416020
1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
CID 115841697
N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine
CID 106042280
1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62798101
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217
1-(2-chlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 63417051
N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine
CID 115905549
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 62603564
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine (CID 63417307) is 1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine is CCCNC(CCc1ccccc1)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine?
The InChIKey is WQEFRVFBBHCERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-2-12-19-15(13-16-10-11-17(18)20-16)9-8-14-6-4-3-5-7-14/h3-7,10-11,15,19H,2,8-9,12-13H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine?
1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine has a molecular weight of 307.89 g/mol, XLogP of 4.95, 8 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)-4-phenyl-N-propylbutan-2-amine is sourced from PubChem (CID 63417307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).