2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride

C21H38ClN — CID 173426031

IUPAC2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride
SMILESCCCCCCCCCCCCc1ccc(C)c(CCN)c1.Cl
InChIInChI=1S/C21H37N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-20-15-14-19(2)21(18-20)16-17-22;/h14-15,18H,3-13,16-17,22H2,1-2H3;1H
InChIKeyLLLFEUDUIUYLLG-UHFFFAOYSA-N
MW340.00 g/mol
LogP6.38
Rot. Bonds13

About 2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride

2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride (PubChem CID 173426031) has the molecular formula C21H38ClN and a molecular weight of 340.00 g/mol. Its IUPAC name is 2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride
PubChem CID173426031
Molecular FormulaC21H38ClN
Molecular Weight340.00 g/mol
Exact Mass339.27
IUPAC Name2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride
SMILESCCCCCCCCCCCCc1ccc(C)c(CCN)c1.Cl
InChIInChI=1S/C21H37N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-20-15-14-19(2)21(18-20)16-17-22;/h14-15,18H,3-13,16-17,22H2,1-2H3;1H
InChIKeyLLLFEUDUIUYLLG-UHFFFAOYSA-N
XLogP6.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.00
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 58289217
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CID 123599336
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
2,4-dihexyl-1-methylbenzene;toluene
CID 173347627
1,2-dimethyl-4-octylbenzene
CID 14044616
4-(2-bromoethyl)-1-methyl-2-pentylbenzene
CID 23435940
2-(4-methyl-3-pentadecylphenyl)acetic acid
CID 141255119
4-heptyl-2-methylaniline
CID 23348805
CID 175900742
CID 175900742
2-[[2-[2-(2-aminoethylamino)ethylamino]ethylamino]methyl]-4-nonylphenol
CID 72713336
6-butyl-N,N-bis(3-hexyl-4-methylphenyl)naphthalen-2-amine
CID 130398276

Frequently Asked Questions

What is the IUPAC name of 2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride (CID 173426031) is 2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride is CCCCCCCCCCCCc1ccc(C)c(CCN)c1.Cl.
What is the InChIKey of 2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride?
The InChIKey is LLLFEUDUIUYLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-20-15-14-19(2)21(18-20)16-17-22;/h14-15,18H,3-13,16-17,22H2,1-2H3;1H.
What are the key properties of 2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride?
2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride has a molecular weight of 340.00 g/mol, XLogP of 6.38, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 173426031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).