N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine

C16H19NS — CID 62091573

IUPACN-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(c1ccccc1)C1CC1)c1ccsc1
InChIInChI=1S/C16H19NS/c1-12(15-9-10-18-11-15)17-16(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,16-17H,7-8H2,1H3
InChIKeyMRLFNYUXTHKJAB-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.55
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine

N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 62091573) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine
PubChem CID62091573
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(c1ccccc1)C1CC1)c1ccsc1
InChIInChI=1S/C16H19NS/c1-12(15-9-10-18-11-15)17-16(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,16-17H,7-8H2,1H3
InChIKeyMRLFNYUXTHKJAB-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
N-[cyclopropyl(phenyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63993444
N-[cyclopropyl(phenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43724281
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81378467
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917
N-[cyclopropyl(phenyl)methyl]-1-imidazo[2,1-b][1,3]thiazol-5-ylethanamine
CID 138048413
(1R)-1-(3-bromofuran-2-yl)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamine
CID 97321709
N-(1-thiophen-3-ylethyl)aniline
CID 62090283

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine (CID 62091573) is N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine is CC(NC(c1ccccc1)C1CC1)c1ccsc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is MRLFNYUXTHKJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12(15-9-10-18-11-15)17-16(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-12,14,16-17H,7-8H2,1H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine?
N-[cyclopropyl(phenyl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 257.40 g/mol, XLogP of 4.55, 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-thiophen-3-ylethanamine is sourced from PubChem (CID 62091573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).