N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine

C16H19NS — CID 79984304

IUPACN-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1ccccc1C1CC1)c1ccsc1
InChIInChI=1S/C16H19NS/c1-12(15-8-9-18-11-15)17-10-14-4-2-3-5-16(14)13-6-7-13/h2-5,8-9,11-13,17H,6-7,10H2,1H3
InChIKeyVOMXKGKZQNZWSR-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.48
Rot. Bonds5

About N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine

N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 79984304) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine
PubChem CID79984304
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1ccccc1C1CC1)c1ccsc1
InChIInChI=1S/C16H19NS/c1-12(15-8-9-18-11-15)17-10-14-4-2-3-5-16(14)13-6-7-13/h2-5,8-9,11-13,17H,6-7,10H2,1H3
InChIKeyVOMXKGKZQNZWSR-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
CID 81356331
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62842187
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115682727
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379917
N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
CID 79884254
N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine
CID 114415138
N-[(4-iodophenyl)methyl]-1-thiophen-3-ylethanamine
CID 65479418
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-1-thiophen-3-ylethanamine
CID 64508623
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
N-[(2-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
CID 79889217

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine (CID 79984304) is N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine is CC(NCc1ccccc1C1CC1)c1ccsc1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is VOMXKGKZQNZWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12(15-8-9-18-11-15)17-10-14-4-2-3-5-16(14)13-6-7-13/h2-5,8-9,11-13,17H,6-7,10H2,1H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine?
N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 257.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 79984304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).