1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C13H15FN2S — CID 65379558

IUPAC1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(NCc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2S/c14-11-5-3-10(4-6-11)13(8-15)16-9-12-2-1-7-17-12/h1-7,13,16H,8-9,15H2
InChIKeyKFADWQCAXNSMFM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.68
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 65379558) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID65379558
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(NCc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2S/c14-11-5-3-10(4-6-11)13(8-15)16-9-12-2-1-7-17-12/h1-7,13,16H,8-9,15H2
InChIKeyKFADWQCAXNSMFM-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81146340
N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65379559
1-(4-bromo-3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81437460
1-(2,5-difluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380159
1-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66480167
1-(3-chloro-2-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 114487950
1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380761
1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380354
1-[2-(difluoromethoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65381967
4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol
CID 61054801
1-(1-phenylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379955
1,2-diphenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43079612

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 65379558) is 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is NCC(NCc1cccs1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is KFADWQCAXNSMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c14-11-5-3-10(4-6-11)13(8-15)16-9-12-2-1-7-17-12/h1-7,13,16H,8-9,15H2.
What are the key properties of 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 250.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 65379558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).