1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene

C19H24 — CID 159443260

IUPAC1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene
SMILESCc1cccc(C[C@@H](C)C[C@H](C)c2ccccc2)c1
InChIInChI=1S/C19H24/c1-15-8-7-9-18(13-15)14-16(2)12-17(3)19-10-5-4-6-11-19/h4-11,13,16-17H,12,14H2,1-3H3/t16-,17-/m0/s1
InChIKeyLMOSYUHJSUZZIG-IRXDYDNUSA-N
MW252.40 g/mol
LogP5.37
Rot. Bonds5

About 1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene

1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene (PubChem CID 159443260) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene
PubChem CID159443260
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene
SMILESCc1cccc(C[C@@H](C)C[C@H](C)c2ccccc2)c1
InChIInChI=1S/C19H24/c1-15-8-7-9-18(13-15)14-16(2)12-17(3)19-10-5-4-6-11-19/h4-11,13,16-17H,12,14H2,1-3H3/t16-,17-/m0/s1
InChIKeyLMOSYUHJSUZZIG-IRXDYDNUSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[(2R,4R)-2-methyl-4-phenylpentyl]benzene;(2S)-1-(3-methylphenyl)propan-2-amine;1-(3-methylphenyl)propan-2-one;(1S)-1-phenylethanamine
CID 159443261
1-(4-fluoro-2-methylpentyl)-3-methylbenzene
CID 159383245
1-methyl-3-(3-phenylbutyl)benzene
CID 173297999
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
N-[2-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 62315355
N-[2-(3-methylphenyl)ethyl]-3-phenylbutan-1-amine
CID 62313909
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol
CID 114978141
(1R)-2-[[(2R)-1-(3-methylphenyl)propan-2-yl]amino]-1-phenylethanol
CID 54165466
3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene?
The IUPAC name of 1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene (CID 159443260) is 1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene.
What is the SMILES notation for 1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene?
The canonical SMILES for 1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene is Cc1cccc(C[C@@H](C)C[C@H](C)c2ccccc2)c1.
What is the InChIKey of 1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene?
The InChIKey is LMOSYUHJSUZZIG-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H24/c1-15-8-7-9-18(13-15)14-16(2)12-17(3)19-10-5-4-6-11-19/h4-11,13,16-17H,12,14H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of 1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene?
1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene has a molecular weight of 252.40 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2S,4S)-2-methyl-4-phenylpentyl]benzene is sourced from PubChem (CID 159443260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).