2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride

C23H42ClNO — CID 175368556

IUPAC2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCC(Oc1ccccc1)C(C)(C)N.Cl
InChIInChI=1S/C23H41NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-22(23(2,3)24)25-21-18-15-14-16-19-21;/h14-16,18-19,22H,4-13,17,20,24H2,1-3H3;1H
InChIKeyCGYIEWMBSYUOFJ-UHFFFAOYSA-N
MW384.05 g/mol
LogP7.29
Rot. Bonds15

About 2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride

2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride (PubChem CID 175368556) has the molecular formula C23H42ClNO and a molecular weight of 384.05 g/mol. Its IUPAC name is 2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride
PubChem CID175368556
Molecular FormulaC23H42ClNO
Molecular Weight384.05 g/mol
Exact Mass383.30
IUPAC Name2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCC(Oc1ccccc1)C(C)(C)N.Cl
InChIInChI=1S/C23H41NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-22(23(2,3)24)25-21-18-15-14-16-19-21;/h14-16,18-19,22H,4-13,17,20,24H2,1-3H3;1H
InChIKeyCGYIEWMBSYUOFJ-UHFFFAOYSA-N
XLogP7.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.05
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoropentadecan-2-yloxybenzene
CID 141219706
3,3-dimethyldodec-1-en-4-yloxybenzene
CID 158926907
2-(hydroxymethyl)-2-(1-phenoxynonyl)propane-1,3-diol
CID 70520234
tetracosan-8-yloxybenzene
CID 154135377
3-methyl-2-phenoxynonadecan-2-amine;hydrochloride
CID 175368609
decan-2-yloxybenzene
CID 12838331
undecan-6-yloxybenzene
CID 130316504
3-methoxy-2-methylheptadecan-2-amine;hydrochloride
CID 173397461
2-phenoxynonanenitrile
CID 68573362
1-phenoxyhexadecan-1-ol
CID 140512988
1-phenoxypentan-1-amine
CID 68557687
1-methoxydecoxybenzene
CID 24977925

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride?
The IUPAC name of 2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride (CID 175368556) is 2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride.
What is the SMILES notation for 2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride?
The canonical SMILES for 2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride is CCCCCCCCCCCCCC(Oc1ccccc1)C(C)(C)N.Cl.
What is the InChIKey of 2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride?
The InChIKey is CGYIEWMBSYUOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-22(23(2,3)24)25-21-18-15-14-16-19-21;/h14-16,18-19,22H,4-13,17,20,24H2,1-3H3;1H.
What are the key properties of 2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride?
2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride has a molecular weight of 384.05 g/mol, XLogP of 7.29, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenoxyhexadecan-2-amine;hydrochloride is sourced from PubChem (CID 175368556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).