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

C16H19NS — CID 81398469

IUPAC(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1cccc(C2CC2)c1)c1cccs1
InChIInChI=1S/C16H19NS/c1-12(16-6-3-9-18-16)17-11-13-4-2-5-15(10-13)14-7-8-14/h2-6,9-10,12,14,17H,7-8,11H2,1H3/t12-/m0/s1
InChIKeyJIVADSLSJFJJPG-LBPRGKRZSA-N
MW257.40 g/mol
LogP4.48
Rot. Bonds5

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

(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 81398469) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
PubChem CID81398469
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NCc1cccc(C2CC2)c1)c1cccs1
InChIInChI=1S/C16H19NS/c1-12(16-6-3-9-18-16)17-11-13-4-2-5-15(10-13)14-7-8-14/h2-6,9-10,12,14,17H,7-8,11H2,1H3/t12-/m0/s1
InChIKeyJIVADSLSJFJJPG-LBPRGKRZSA-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

1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978996
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79970542
3-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 28683484
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356483
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79979302
(1R)-1-(4-bromophenyl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81354119
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683372
(1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 102675126

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine (CID 81398469) is (1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine is C[C@H](NCc1cccc(C2CC2)c1)c1cccs1.
What is the InChIKey of (1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is JIVADSLSJFJJPG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19NS/c1-12(16-6-3-9-18-16)17-11-13-4-2-5-15(10-13)14-7-8-14/h2-6,9-10,12,14,17H,7-8,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine?
(1S)-N-[(3-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 (1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81398469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).