(2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine

C12H16ClN — CID 142543492

IUPAC(2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine
SMILESC=C(Cl)C[C@@](C)(N)Cc1ccccc1
InChIInChI=1S/C12H16ClN/c1-10(13)8-12(2,14)9-11-6-4-3-5-7-11/h3-7H,1,8-9,14H2,2H3/t12-/m1/s1
InChIKeyPNPALEIAWHZASF-GFCCVEGCSA-N
MW209.72 g/mol
LogP3.09
Rot. Bonds4

About (2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine

(2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine (PubChem CID 142543492) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine.

Molecular Properties

Compound Name(2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine
PubChem CID142543492
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine
SMILESC=C(Cl)C[C@@](C)(N)Cc1ccccc1
InChIInChI=1S/C12H16ClN/c1-10(13)8-12(2,14)9-11-6-4-3-5-7-11/h3-7H,1,8-9,14H2,2H3/t12-/m1/s1
InChIKeyPNPALEIAWHZASF-GFCCVEGCSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-1-phenylpent-4-en-2-amine;2-methylpropane-2-thiol
CID 145365228
2,2-dimethylpropylbenzene;methanol
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CID 7023409
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
4-ethyl-2-methyl-1-phenylhexan-2-amine
CID 82920478
(2R)-2-amino-2-methyl-3-phenylpropanimidamide
CID 70333912
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746
4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride
CID 173170134
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
2-chloro-2-methyl-3-phenylpropan-1-ol
CID 130128732
2-methyl-2-(3-phenylprop-1-en-2-yl)propanedioic acid
CID 11948255

Frequently Asked Questions

What is the IUPAC name of (2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine?
The IUPAC name of (2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine (CID 142543492) is (2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine.
What is the SMILES notation for (2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine?
The canonical SMILES for (2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine is C=C(Cl)C[C@@](C)(N)Cc1ccccc1.
What is the InChIKey of (2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine?
The InChIKey is PNPALEIAWHZASF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16ClN/c1-10(13)8-12(2,14)9-11-6-4-3-5-7-11/h3-7H,1,8-9,14H2,2H3/t12-/m1/s1.
What are the key properties of (2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine?
(2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine has a molecular weight of 209.72 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-chloro-2-methyl-1-phenylpent-4-en-2-amine is sourced from PubChem (CID 142543492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).