N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine

C14H17NS — CID 4715520

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
SMILESCc1ccc(CNC(C)c2ccccc2)s1
InChIInChI=1S/C14H17NS/c1-11-8-9-14(16-11)10-15-12(2)13-6-4-3-5-7-13/h3-9,12,15H,10H2,1-2H3
InChIKeyGCBHJOWYJBACTF-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.91
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine

N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine (PubChem CID 4715520) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
PubChem CID4715520
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine
SMILESCc1ccc(CNC(C)c2ccccc2)s1
InChIInChI=1S/C14H17NS/c1-11-8-9-14(16-11)10-15-12(2)13-6-4-3-5-7-13/h3-9,12,15H,10H2,1-2H3
InChIKeyGCBHJOWYJBACTF-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855
1-(4-bromophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663960
N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 43179335
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-phenylethanamine
CID 28564868
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
(1S)-N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81499028
N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81494858
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43180928

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine (CID 4715520) is N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine is Cc1ccc(CNC(C)c2ccccc2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine?
The InChIKey is GCBHJOWYJBACTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-11-8-9-14(16-11)10-15-12(2)13-6-4-3-5-7-13/h3-9,12,15H,10H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine?
N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine has a molecular weight of 231.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 4715520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).