3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine

C17H21NOS — CID 103081741

IUPAC3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCOC1CCC(NCc2cc(-c3ccccc3)cs2)C1
InChIInChI=1S/C17H21NOS/c1-19-16-8-7-15(10-16)18-11-17-9-14(12-20-17)13-5-3-2-4-6-13/h2-6,9,12,15-16,18H,7-8,10-11H2,1H3
InChIKeyMXXHQXOTIHYSLE-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.07
Rot. Bonds5

About 3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine

3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine (PubChem CID 103081741) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
PubChem CID103081741
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
SMILESCOC1CCC(NCc2cc(-c3ccccc3)cs2)C1
InChIInChI=1S/C17H21NOS/c1-19-16-8-7-15(10-16)18-11-17-9-14(12-20-17)13-5-3-2-4-6-13/h2-6,9,12,15-16,18H,7-8,10-11H2,1H3
InChIKeyMXXHQXOTIHYSLE-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543900
N-[(4-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine
CID 103081827
2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine
CID 83009317
2-cyclopropyl-N-[(4-phenylthiophen-2-yl)methyl]propan-2-amine
CID 103700143
1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 62350153
1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine
CID 115615379
3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587891
3-methylsulfanyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103701381
molecular hydrogen;trans-(1R,2R)-2,3,4,4-tetramethyl-N-[(4-phenylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 144611701
4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 61019202
3-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 103081758
methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate
CID 103083146

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine (CID 103081741) is 3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine is COC1CCC(NCc2cc(-c3ccccc3)cs2)C1.
What is the InChIKey of 3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is MXXHQXOTIHYSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-19-16-8-7-15(10-16)18-11-17-9-14(12-20-17)13-5-3-2-4-6-13/h2-6,9,12,15-16,18H,7-8,10-11H2,1H3.
What are the key properties of 3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine?
3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 103081741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).