N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine

C15H23NS — CID 115899991

IUPACN-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NCc1ccccc1C1CC1
InChIInChI=1S/C15H23NS/c1-3-14(11-17-2)16-10-13-6-4-5-7-15(13)12-8-9-12/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyVXRHTSUSSAXSRC-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.80
Rot. Bonds7

About N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine

N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine (PubChem CID 115899991) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine
PubChem CID115899991
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NCc1ccccc1C1CC1
InChIInChI=1S/C15H23NS/c1-3-14(11-17-2)16-10-13-6-4-5-7-15(13)12-8-9-12/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyVXRHTSUSSAXSRC-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol
CID 104980617
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115682727
N-[(2-cyclopropylphenyl)methyl]octan-4-amine
CID 106023493
N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine
CID 114415138
N-[(2-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
CID 79889217
N-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
CID 81356331
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379917
N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
CID 79884254
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
2-chloro-6-[(1-methylsulfanylbutan-2-ylamino)methyl]phenol
CID 115908828
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine (CID 115899991) is N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine is CCC(CSC)NCc1ccccc1C1CC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine?
The InChIKey is VXRHTSUSSAXSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-14(11-17-2)16-10-13-6-4-5-7-15(13)12-8-9-12/h4-7,12,14,16H,3,8-11H2,1-2H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine?
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115899991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).