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

C16H19NS — CID 81398472

IUPAC(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@@H](NCc1ccccc1C1CC1)c1cccs1
InChIInChI=1S/C16H19NS/c1-12(16-7-4-10-18-16)17-11-14-5-2-3-6-15(14)13-8-9-13/h2-7,10,12-13,17H,8-9,11H2,1H3/t12-/m1/s1
InChIKeyXLKOPYBAXPDMDY-GFCCVEGCSA-N
MW257.40 g/mol
LogP4.48
Rot. Bonds5

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

(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 81398472) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID81398472
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@@H](NCc1ccccc1C1CC1)c1cccs1
InChIInChI=1S/C16H19NS/c1-12(16-7-4-10-18-16)17-11-14-5-2-3-6-15(14)13-8-9-13/h2-7,10,12-13,17H,8-9,11H2,1H3/t12-/m1/s1
InChIKeyXLKOPYBAXPDMDY-GFCCVEGCSA-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

2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine
CID 79984304
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398469
N-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379917
2-[(1-thiophen-2-ylethylamino)methyl]benzonitrile
CID 43401659
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
CID 81356331
N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine
CID 114415138
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115682727

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine (CID 81398472) is (1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine is C[C@@H](NCc1ccccc1C1CC1)c1cccs1.
What is the InChIKey of (1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is XLKOPYBAXPDMDY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19NS/c1-12(16-7-4-10-18-16)17-11-14-5-2-3-6-15(14)13-8-9-13/h2-7,10,12-13,17H,8-9,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine?
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-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 (1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81398472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).