2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine

C17H23NS — CID 55191795

IUPAC2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
SMILESCCC(NCc1ccc(-c2ccccc2)s1)C(C)C
InChIInChI=1S/C17H23NS/c1-4-16(13(2)3)18-12-15-10-11-17(19-15)14-8-6-5-7-9-14/h5-11,13,16,18H,4,12H2,1-3H3
InChIKeyKCLSFZBGTMQJCJ-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.94
Rot. Bonds6

About 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine

2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine (PubChem CID 55191795) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
PubChem CID55191795
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
SMILESCCC(NCc1ccc(-c2ccccc2)s1)C(C)C
InChIInChI=1S/C17H23NS/c1-4-16(13(2)3)18-12-15-10-11-17(19-15)14-8-6-5-7-9-14/h5-11,13,16,18H,4,12H2,1-3H3
InChIKeyKCLSFZBGTMQJCJ-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine
CID 65047475
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
CID 63843620
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine
CID 61469407
3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
CID 78998187
N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine
CID 43223060
2-methyl-N-[(4-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191416
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
(2S)-3-methyl-N-[[5-(4-methylphenyl)thiophen-2-yl]methyl]butan-2-amine
CID 59978709
N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63453731

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine (CID 55191795) is 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine is CCC(NCc1ccc(-c2ccccc2)s1)C(C)C.
What is the InChIKey of 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine?
The InChIKey is KCLSFZBGTMQJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-16(13(2)3)18-12-15-10-11-17(19-15)14-8-6-5-7-9-14/h5-11,13,16,18H,4,12H2,1-3H3.
What are the key properties of 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine?
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine has a molecular weight of 273.44 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 55191795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).