1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine

C14H21NS — CID 115706143

IUPAC1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine
SMILESCSCCNC(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H21NS/c1-16-10-9-15-14(13-7-8-13)11-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3
InChIKeyODQSGLICHCNMMR-UHFFFAOYSA-N
MW235.40 g/mol
LogP2.96
Rot. Bonds7

About 1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine

1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine (PubChem CID 115706143) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine
PubChem CID115706143
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine
SMILESCSCCNC(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H21NS/c1-16-10-9-15-14(13-7-8-13)11-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3
InChIKeyODQSGLICHCNMMR-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine
CID 115706886
(2S)-2-amino-N-(1-cyclopropyl-2-phenylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119331086
(2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol
CID 103778498
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine
CID 65391828
N-[(1S)-1-cyclopropyl-2-phenylethyl]-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 97062042
N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide
CID 86902888
N-ethyl-1-(3-ethylcyclopentyl)-2-phenylethanamine
CID 65412003
1-(1-cyclopropyl-2-phenylethyl)-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438906
1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328
2-[(1-cyclohex-3-en-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
CID 54601250
(1-cyclooctyl-2-phenylethyl)hydrazine
CID 105254972
N-[1-[(1-cyclopropyl-2-phenylethyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014691

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine?
The IUPAC name of 1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine (CID 115706143) is 1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine.
What is the SMILES notation for 1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine?
The canonical SMILES for 1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine is CSCCNC(Cc1ccccc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine?
The InChIKey is ODQSGLICHCNMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-16-10-9-15-14(13-7-8-13)11-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3.
What are the key properties of 1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine?
1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine has a molecular weight of 235.40 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine is sourced from PubChem (CID 115706143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).