1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine

C12H19NOS — CID 3126332

IUPAC1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
SMILESCOCC(C)NCc1ccc(SC)cc1
InChIInChI=1S/C12H19NOS/c1-10(9-14-2)13-8-11-4-6-12(15-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChIKeyCVBPCZQPPXQUEF-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.53
Rot. Bonds6

About 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine

1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine (PubChem CID 3126332) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
PubChem CID3126332
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
SMILESCOCC(C)NCc1ccc(SC)cc1
InChIInChI=1S/C12H19NOS/c1-10(9-14-2)13-8-11-4-6-12(15-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3
InChIKeyCVBPCZQPPXQUEF-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 781284
(2S)-1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 781285
N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine;hydrochloride
CID 44890739
4-[(1-methoxypropan-2-ylamino)methyl]aniline
CID 82670046
(3R)-3-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 103854632
1-N,1-N-dimethyl-3-N-[(4-methylsulfanylphenyl)methyl]butane-1,3-diamine
CID 54963566
1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 60943980
2-[(4-methylsulfanylphenyl)methylamino]propanoic acid
CID 43467247
N-(2-methoxyethyl)-N'-[(4-methylsulfanylphenyl)methyl]ethane-1,2-diamine
CID 113405500
(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 781010
ethyl 2-[(4-methylsulfanylphenyl)methylamino]propanoate
CID 54960333
(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 28623639

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine (CID 3126332) is 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine is COCC(C)NCc1ccc(SC)cc1.
What is the InChIKey of 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine?
The InChIKey is CVBPCZQPPXQUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(9-14-2)13-8-11-4-6-12(15-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine?
1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 3126332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).