(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine

C14H23NO — CID 112500895

IUPAC(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine
SMILESCCC(C)[C@H](N)COCc1ccccc1C
InChIInChI=1S/C14H23NO/c1-4-11(2)14(15)10-16-9-13-8-6-5-7-12(13)3/h5-8,11,14H,4,9-10,15H2,1-3H3/t11?,14-/m1/s1
InChIKeyZUNHOWRSMHVISX-SBXXRYSUSA-N
MW221.34 g/mol
LogP2.89
Rot. Bonds6

About (2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine

(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine (PubChem CID 112500895) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine
PubChem CID112500895
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine
SMILESCCC(C)[C@H](N)COCc1ccccc1C
InChIInChI=1S/C14H23NO/c1-4-11(2)14(15)10-16-9-13-8-6-5-7-12(13)3/h5-8,11,14H,4,9-10,15H2,1-3H3/t11?,14-/m1/s1
InChIKeyZUNHOWRSMHVISX-SBXXRYSUSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine
CID 35753956
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
ethane;1-methyl-2-(propoxymethyl)benzene
CID 144908346
1-[[(3R)-2-[amino-[(3R)-1-[(2-methylphenyl)methoxy]-3-phenylbutan-2-yl]oxyphosphoryl]oxy-3-phenylbutoxy]methyl]-2-methylbenzene
CID 174961008
1,2-dimethyl-3-(2-methylpropoxymethyl)benzene
CID 122553324
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
(2R)-1-[(2,4-dimethylphenyl)methoxy]butan-2-amine
CID 97057919
(2-methylphenyl)methyl 2-amino-4-methylpentanoate
CID 112510029
4-methyl-1-(2-methylphenyl)pentan-3-amine
CID 43175902
(2-methylphenyl)methoxy-di(propan-2-yl)azanium
CID 173224071
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
1-methyl-2-[(4-methylphenyl)methoxymethyl]benzene
CID 58414082

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine?
The IUPAC name of (2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine (CID 112500895) is (2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine.
What is the SMILES notation for (2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine?
The canonical SMILES for (2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine is CCC(C)[C@H](N)COCc1ccccc1C.
What is the InChIKey of (2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine?
The InChIKey is ZUNHOWRSMHVISX-SBXXRYSUSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-11(2)14(15)10-16-9-13-8-6-5-7-12(13)3/h5-8,11,14H,4,9-10,15H2,1-3H3/t11?,14-/m1/s1.
What are the key properties of (2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine?
(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine is sourced from PubChem (CID 112500895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).