N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline

C17H20FNOS — CID 43775939

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(NC(c2cccs2)C2CCCC2)cc1F
InChIInChI=1S/C17H20FNOS/c1-20-15-9-8-13(11-14(15)18)19-17(12-5-2-3-6-12)16-7-4-10-21-16/h4,7-12,17,19H,2-3,5-6H2,1H3
InChIKeyQSJBNYTVMMEQEN-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.24
Rot. Bonds5

About N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline

N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline (PubChem CID 43775939) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline
PubChem CID43775939
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(NC(c2cccs2)C2CCCC2)cc1F
InChIInChI=1S/C17H20FNOS/c1-20-15-9-8-13(11-14(15)18)19-17(12-5-2-3-6-12)16-7-4-10-21-16/h4,7-12,17,19H,2-3,5-6H2,1H3
InChIKeyQSJBNYTVMMEQEN-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62810181
N-[cyclopropyl(thiophen-2-yl)methyl]-3,4,5-trifluoroaniline
CID 62809644
N-[cyclopentyl(thiophen-2-yl)methyl]-4-methylaniline
CID 43765836
N-[cyclopentyl(thiophen-2-yl)methyl]-2,3,5-trifluoroaniline
CID 63477350
N-[(1S)-1-cyclopropylethyl]-3-fluoro-4-methoxyaniline
CID 93292866
4-bromo-N-[cyclopentyl(thiophen-2-yl)methyl]-2,5-difluoroaniline
CID 107609695
N-[cyclopropyl(thiophen-2-yl)methyl]-3-fluoro-5-methylaniline
CID 79055355
N-[cyclopropyl(thiophen-2-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 54983465
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
N-[cyclopentyl(thiophen-2-yl)methyl]-3-ethynylaniline
CID 43755560
5-[[cyclopentyl(thiophen-2-yl)methyl]amino]-1-methylpyridin-2-one
CID 60930788
N-[cyclopropyl(thiophen-2-yl)methyl]-2,4,5-trifluoroaniline
CID 55118586

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline (CID 43775939) is N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline is COc1ccc(NC(c2cccs2)C2CCCC2)cc1F.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline?
The InChIKey is QSJBNYTVMMEQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-20-15-9-8-13(11-14(15)18)19-17(12-5-2-3-6-12)16-7-4-10-21-16/h4,7-12,17,19H,2-3,5-6H2,1H3.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline?
N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline has a molecular weight of 305.42 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-3-fluoro-4-methoxyaniline is sourced from PubChem (CID 43775939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).