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

C14H17NS — CID 43213873

IUPACN-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C14H17NS/c1-11(2)15-10-13-8-9-14(16-13)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3
InChIKeyPROTYIICNXCUBE-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.91
Rot. Bonds4

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

N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 43213873) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
PubChem CID43213873
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C14H17NS/c1-11(2)15-10-13-8-9-14(16-13)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3
InChIKeyPROTYIICNXCUBE-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-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-3-amine
CID 55191795
3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
CID 63843620
3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
CID 78998187
1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine
CID 65047475
(1R)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395728
(1S)-N-[(5-phenylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951056
N-[(5-phenylthiophen-2-yl)methyl]octan-2-amine
CID 43223060
N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63453731
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 119126800
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine (CID 43213873) is N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine is CC(C)NCc1ccc(-c2ccccc2)s1.
What is the InChIKey of N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is PROTYIICNXCUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-11(2)15-10-13-8-9-14(16-13)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3.
What are the key properties of N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine?
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine 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-phenylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 43213873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).