[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine

C13H16N2S — CID 115212986

IUPAC[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
SMILESNCc1cccc(CNCc2cccs2)c1
InChIInChI=1S/C13H16N2S/c14-8-11-3-1-4-12(7-11)9-15-10-13-5-2-6-16-13/h1-7,15H,8-10,14H2
InChIKeyWIKVFWQOLTZBGL-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.50
Rot. Bonds5

About [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine

[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine (PubChem CID 115212986) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
PubChem CID115212986
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
SMILESNCc1cccc(CNCc2cccs2)c1
InChIInChI=1S/C13H16N2S/c14-8-11-3-1-4-12(7-11)9-15-10-13-5-2-6-16-13/h1-7,15H,8-10,14H2
InChIKeyWIKVFWQOLTZBGL-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 1460717
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 119107424
2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline
CID 61150338
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798947
[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
CID 83962635
[3-[[(4-chlorophenyl)methylamino]methyl]phenyl]methanamine
CID 115212992
1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213569
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61453411

Frequently Asked Questions

What is the IUPAC name of [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine?
The IUPAC name of [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine (CID 115212986) is [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine is NCc1cccc(CNCc2cccs2)c1.
What is the InChIKey of [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine?
The InChIKey is WIKVFWQOLTZBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c14-8-11-3-1-4-12(7-11)9-15-10-13-5-2-6-16-13/h1-7,15H,8-10,14H2.
What are the key properties of [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine?
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine has a molecular weight of 232.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine is sourced from PubChem (CID 115212986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).