N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine

C17H21NOS — CID 60879896

IUPACN-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cc(C)c1OCc1cccs1
InChIInChI=1S/C17H21NOS/c1-12-8-14(10-18-15-5-6-15)9-13(2)17(12)19-11-16-4-3-7-20-16/h3-4,7-9,15,18H,5-6,10-11H2,1-2H3
InChIKeyBFTMVDBJZPVAJC-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.20
Rot. Bonds6

About N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine

N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 60879896) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
PubChem CID60879896
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC NameN-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cc(C)c1OCc1cccs1
InChIInChI=1S/C17H21NOS/c1-12-8-14(10-18-15-5-6-15)9-13(2)17(12)19-11-16-4-3-7-20-16/h3-4,7-9,15,18H,5-6,10-11H2,1-2H3
InChIKeyBFTMVDBJZPVAJC-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 961311
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43276842
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride
CID 17331804
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331809
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276817
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60907942
N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine
CID 115953954
5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 80636888
N-[[5-chloro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114928565
N-[[3-bromo-4-(thiophen-2-ylmethoxymethyl)phenyl]methyl]cyclopropanamine
CID 102773450

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine (CID 60879896) is N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)cc(C)c1OCc1cccs1.
What is the InChIKey of N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is BFTMVDBJZPVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-8-14(10-18-15-5-6-15)9-13(2)17(12)19-11-16-4-3-7-20-16/h3-4,7-9,15,18H,5-6,10-11H2,1-2H3.
What are the key properties of N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 287.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 60879896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).