1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine

C16H19NOS — CID 55027112

IUPAC1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCOc1ccc(C(NCc2ccsc2)C2CC2)cc1
InChIInChI=1S/C16H19NOS/c1-18-15-6-4-14(5-7-15)16(13-2-3-13)17-10-12-8-9-19-11-12/h4-9,11,13,16-17H,2-3,10H2,1H3
InChIKeyLKQOPQIWFLIRPG-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.00
Rot. Bonds6

About 1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine

1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine (PubChem CID 55027112) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine
PubChem CID55027112
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine
SMILESCOc1ccc(C(NCc2ccsc2)C2CC2)cc1
InChIInChI=1S/C16H19NOS/c1-18-15-6-4-14(5-7-15)16(13-2-3-13)17-10-12-8-9-19-11-12/h4-9,11,13,16-17H,2-3,10H2,1H3
InChIKeyLKQOPQIWFLIRPG-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81371445
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
(1S)-1-cyclopropyl-1-(4-methoxyphenyl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]methanamine
CID 95973403
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103910978
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 60894909
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698985
5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 103714492
3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile
CID 60713387
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine
CID 115898527

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine (CID 55027112) is 1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine is COc1ccc(C(NCc2ccsc2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine?
The InChIKey is LKQOPQIWFLIRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-18-15-6-4-14(5-7-15)16(13-2-3-13)17-10-12-8-9-19-11-12/h4-9,11,13,16-17H,2-3,10H2,1H3.
What are the key properties of 1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine?
1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine has a molecular weight of 273.40 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-methoxyphenyl)-N-(thiophen-3-ylmethyl)methanamine is sourced from PubChem (CID 55027112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).