N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

C17H21NS — CID 63993444

IUPACN-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(C)NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H21NS/c1-12-10-11-19-17(12)13(2)18-16(15-8-9-15)14-6-4-3-5-7-14/h3-7,10-11,13,15-16,18H,8-9H2,1-2H3
InChIKeyOIYZHUVPKKZBFW-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.86
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 63993444) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID63993444
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(C)NC(c1ccccc1)C1CC1
InChIInChI=1S/C17H21NS/c1-12-10-11-19-17(12)13(2)18-16(15-8-9-15)14-6-4-3-5-7-14/h3-7,10-11,13,15-16,18H,8-9H2,1-2H3
InChIKeyOIYZHUVPKKZBFW-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine
CID 62091573
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81378467
N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43724241
N-[cyclopropyl(phenyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-5-ylethanamine
CID 138048413
(1S)-1-(3-methylthiophen-2-yl)-N-[(S)-phenyl(pyridin-2-yl)methyl]ethanamine
CID 97073226
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 63993212
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
N-[1-(3-methylthiophen-2-yl)ethyl]cyclopentanamine
CID 63992992

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (CID 63993444) is N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1C(C)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is OIYZHUVPKKZBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-12-10-11-19-17(12)13(2)18-16(15-8-9-15)14-6-4-3-5-7-14/h3-7,10-11,13,15-16,18H,8-9H2,1-2H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 271.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 63993444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).