N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine

C16H19NS — CID 65105093

IUPACN-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H19NS/c1-17-15(13-8-11-18-12-13)16(9-5-10-16)14-6-3-2-4-7-14/h2-4,6-8,11-12,15,17H,5,9-10H2,1H3
InChIKeyGKQLWICRXJOPOQ-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.13
Rot. Bonds4

About N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine

N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine (PubChem CID 65105093) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine
PubChem CID65105093
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H19NS/c1-17-15(13-8-11-18-12-13)16(9-5-10-16)14-6-3-2-4-7-14/h2-4,6-8,11-12,15,17H,5,9-10H2,1H3
InChIKeyGKQLWICRXJOPOQ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1-phenylcyclopropyl)-1-thiophen-3-ylmethanamine
CID 65104923
[(4-phenyloxan-4-yl)-thiophen-3-ylmethyl]hydrazine
CID 105217605
N-methyl-1-(5-methylthiophen-3-yl)-1-(1-phenylcyclohexyl)methanamine
CID 65104467
1-phenyl-N-[(1R)-1-thiophen-3-ylethyl]cyclobutan-1-amine
CID 99776814
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopentyl)methanamine
CID 63417580
1-(4-bromothiophen-3-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 79596313
(1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol
CID 100680717
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 62881063
N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)-1-thiophen-3-ylmethanamine
CID 79058952
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopropyl)methanamine
CID 63080920
N,N-diethyl-1-[methylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
CID 79070422
N-ethyl-1-(1-phenylcyclobutyl)-2-thiophen-3-ylethanamine
CID 63078464

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine?
The IUPAC name of N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine (CID 65105093) is N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine is CNC(c1ccsc1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine?
The InChIKey is GKQLWICRXJOPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-17-15(13-8-11-18-12-13)16(9-5-10-16)14-6-3-2-4-7-14/h2-4,6-8,11-12,15,17H,5,9-10H2,1H3.
What are the key properties of N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine?
N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine has a molecular weight of 257.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylcyclobutyl)-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 65105093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).