1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine

C12H12FNS — CID 28668397

IUPAC1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESFc1cccc(CNCc2cccs2)c1
InChIInChI=1S/C12H12FNS/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2
InChIKeyBRIRVMSVDAEDLH-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.18
Rot. Bonds4

About 1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine

1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 28668397) has the molecular formula C12H12FNS and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID28668397
Molecular FormulaC12H12FNS
Molecular Weight221.30 g/mol
Exact Mass221.07
IUPAC Name1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
SMILESFc1cccc(CNCc2cccs2)c1
InChIInChI=1S/C12H12FNS/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2
InChIKeyBRIRVMSVDAEDLH-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 1460717
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43114066
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 119107424
1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 81284399
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 115767520
N-[(3-fluorophenyl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 43773033
2-[(3-fluorophenyl)methylamino]acetaldehyde
CID 115222993
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine (CID 28668397) is 1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine is Fc1cccc(CNCc2cccs2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is BRIRVMSVDAEDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNS/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2.
What are the key properties of 1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine?
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 221.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 28668397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).