phenylmethanamine;2-phenylpropan-2-amine;hydrochloride

C16H23ClN2 — CID 174901598

IUPACphenylmethanamine;2-phenylpropan-2-amine;hydrochloride
SMILESCC(C)(N)c1ccccc1.Cl.NCc1ccccc1
InChIInChI=1S/C9H13N.C7H9N.ClH/c1-9(2,10)8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7;/h3-7H,10H2,1-2H3;1-5H,6,8H2;1H
InChIKeyUSENLTUDPWEQOK-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.45
Rot. Bonds2

About phenylmethanamine;2-phenylpropan-2-amine;hydrochloride

phenylmethanamine;2-phenylpropan-2-amine;hydrochloride (PubChem CID 174901598) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is phenylmethanamine;2-phenylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Namephenylmethanamine;2-phenylpropan-2-amine;hydrochloride
PubChem CID174901598
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Namephenylmethanamine;2-phenylpropan-2-amine;hydrochloride
SMILESCC(C)(N)c1ccccc1.Cl.NCc1ccccc1
InChIInChI=1S/C9H13N.C7H9N.ClH/c1-9(2,10)8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7;/h3-7H,10H2,1-2H3;1-5H,6,8H2;1H
InChIKeyUSENLTUDPWEQOK-UHFFFAOYSA-N
XLogP3.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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phenylmethanamine;trihydrobromide
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phenylmethanamine;dodecahydrobromide
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phenylmethanamine;titanium(2+)
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sodium phenylmethanamine
CID 172793696
[3-(2-chloropropan-2-yl)phenyl]methanamine
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CID 67930723
phenylmethanamine;tetramethylazanium;hydroxide
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CID 175440072

Frequently Asked Questions

What is the IUPAC name of phenylmethanamine;2-phenylpropan-2-amine;hydrochloride?
The IUPAC name of phenylmethanamine;2-phenylpropan-2-amine;hydrochloride (CID 174901598) is phenylmethanamine;2-phenylpropan-2-amine;hydrochloride.
What is the SMILES notation for phenylmethanamine;2-phenylpropan-2-amine;hydrochloride?
The canonical SMILES for phenylmethanamine;2-phenylpropan-2-amine;hydrochloride is CC(C)(N)c1ccccc1.Cl.NCc1ccccc1.
What is the InChIKey of phenylmethanamine;2-phenylpropan-2-amine;hydrochloride?
The InChIKey is USENLTUDPWEQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C7H9N.ClH/c1-9(2,10)8-6-4-3-5-7-8;8-6-7-4-2-1-3-5-7;/h3-7H,10H2,1-2H3;1-5H,6,8H2;1H.
What are the key properties of phenylmethanamine;2-phenylpropan-2-amine;hydrochloride?
phenylmethanamine;2-phenylpropan-2-amine;hydrochloride has a molecular weight of 278.83 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanamine;2-phenylpropan-2-amine;hydrochloride is sourced from PubChem (CID 174901598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).