(2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine

C15H23N — CID 130371594

IUPAC(2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine
SMILESC=Cc1cccc(C(C)C)c1C[C@@H](N)CC
InChIInChI=1S/C15H23N/c1-5-12-8-7-9-14(11(3)4)15(12)10-13(16)6-2/h5,7-9,11,13H,1,6,10,16H2,2-4H3/t13-/m0/s1
InChIKeyXQBBRGWMXFCYED-ZDUSSCGKSA-N
MW217.36 g/mol
LogP3.73
Rot. Bonds5

About (2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine

(2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine (PubChem CID 130371594) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine
PubChem CID130371594
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine
SMILESC=Cc1cccc(C(C)C)c1C[C@@H](N)CC
InChIInChI=1S/C15H23N/c1-5-12-8-7-9-14(11(3)4)15(12)10-13(16)6-2/h5,7-9,11,13H,1,6,10,16H2,2-4H3/t13-/m0/s1
InChIKeyXQBBRGWMXFCYED-ZDUSSCGKSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 123346539
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CID 55283392
2-chloro-1-ethenyl-3-propan-2-ylbenzene
CID 118269122
1-ethenyl-2-pentan-3-ylbenzene
CID 20542388
2-butan-2-yl-1-ethenyl-3-methylbenzene
CID 150268665
1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene
CID 22186396
(1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol
CID 130989539
1-(2-chloropentan-3-yl)-2-ethenylbenzene
CID 139903375
4-[2,6-di(propan-2-yl)phenyl]butan-2-amine
CID 174789364
1,3-bis(ethenyl)-2-ethylbenzene;prop-1-en-2-ylbenzene
CID 173010088
1-ethenyl-2-ethyl-3-prop-1-enylbenzene
CID 90726745
2-(2-ethenylphenyl)-N-methyl-N-propylpropan-1-amine
CID 143427493

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine?
The IUPAC name of (2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine (CID 130371594) is (2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine.
What is the SMILES notation for (2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine?
The canonical SMILES for (2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine is C=Cc1cccc(C(C)C)c1C[C@@H](N)CC.
What is the InChIKey of (2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine?
The InChIKey is XQBBRGWMXFCYED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N/c1-5-12-8-7-9-14(11(3)4)15(12)10-13(16)6-2/h5,7-9,11,13H,1,6,10,16H2,2-4H3/t13-/m0/s1.
What are the key properties of (2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine?
(2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethenyl-6-propan-2-ylphenyl)butan-2-amine is sourced from PubChem (CID 130371594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).