N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine

C16H20ClNOS — CID 116773278

IUPACN-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)C(OC)c1ccccc1
InChIInChI=1S/C16H20ClNOS/c1-3-11-18-15(13-9-10-14(17)20-13)16(19-2)12-7-5-4-6-8-12/h4-10,15-16,18H,3,11H2,1-2H3
InChIKeyKDGJMOSSKPFDMU-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.83
Rot. Bonds7

About N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine

N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine (PubChem CID 116773278) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine
PubChem CID116773278
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC NameN-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)C(OC)c1ccccc1
InChIInChI=1S/C16H20ClNOS/c1-3-11-18-15(13-9-10-14(17)20-13)16(19-2)12-7-5-4-6-8-12/h4-10,15-16,18H,3,11H2,1-2H3
InChIKeyKDGJMOSSKPFDMU-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720675
N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine
CID 116773182
1-(5-chlorothiophen-2-yl)-N,2-dipropylpentan-1-amine
CID 82984586
1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773234
1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine
CID 43496970
3-[2-methoxy-2-phenyl-1-(propylamino)ethyl]pyridin-4-amine
CID 116773275
1-methoxy-4-methylidene-1-phenyl-N-propylhexan-2-amine
CID 116773267
N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 63503730
1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine
CID 116773236
3-(furan-2-yl)-1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773231
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine
CID 43734683
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43692482

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine (CID 116773278) is N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine is CCCNC(c1ccc(Cl)s1)C(OC)c1ccccc1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine?
The InChIKey is KDGJMOSSKPFDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-3-11-18-15(13-9-10-14(17)20-13)16(19-2)12-7-5-4-6-8-12/h4-10,15-16,18H,3,11H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine?
N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine has a molecular weight of 309.86 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 116773278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).