2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine

C14H21NOS — CID 24805727

IUPAC2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine
SMILESC=CCS(=O)c1ccccc1CNCC(C)C
InChIInChI=1S/C14H21NOS/c1-4-9-17(16)14-8-6-5-7-13(14)11-15-10-12(2)3/h4-8,12,15H,1,9-11H2,2-3H3
InChIKeyKUZNKDXHRMUAEM-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.73
Rot. Bonds7

About 2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine

2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine (PubChem CID 24805727) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine
PubChem CID24805727
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine
SMILESC=CCS(=O)c1ccccc1CNCC(C)C
InChIInChI=1S/C14H21NOS/c1-4-9-17(16)14-8-6-5-7-13(14)11-15-10-12(2)3/h4-8,12,15H,1,9-11H2,2-3H3
InChIKeyKUZNKDXHRMUAEM-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62439717
(1R)-N,N-dimethyl-1-(2-prop-2-enylsulfinylphenyl)ethanamine
CID 101208343
N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63552275
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 104546902
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551148
2-methyl-N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]propan-1-amine
CID 63063942
N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 55073049
N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 63725478
1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527314
1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527082

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine (CID 24805727) is 2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine is C=CCS(=O)c1ccccc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine?
The InChIKey is KUZNKDXHRMUAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-9-17(16)14-8-6-5-7-13(14)11-15-10-12(2)3/h4-8,12,15H,1,9-11H2,2-3H3.
What are the key properties of 2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine?
2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-prop-2-enylsulfinylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 24805727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).