2-phenylicosan-2-amine;hydrochloride

C26H48ClN — CID 173065845

IUPAC2-phenylicosan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCC(C)(N)c1ccccc1.Cl
InChIInChI=1S/C26H47N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(2,27)25-22-19-18-20-23-25;/h18-20,22-23H,3-17,21,24,27H2,1-2H3;1H
InChIKeyPZOWDIWXSBKIPS-UHFFFAOYSA-N
MW410.13 g/mol
LogP8.93
Rot. Bonds18

About 2-phenylicosan-2-amine;hydrochloride

2-phenylicosan-2-amine;hydrochloride (PubChem CID 173065845) has the molecular formula C26H48ClN and a molecular weight of 410.13 g/mol. Its IUPAC name is 2-phenylicosan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-phenylicosan-2-amine;hydrochloride
PubChem CID173065845
Molecular FormulaC26H48ClN
Molecular Weight410.13 g/mol
Exact Mass409.35
IUPAC Name2-phenylicosan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCC(C)(N)c1ccccc1.Cl
InChIInChI=1S/C26H47N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(2,27)25-22-19-18-20-23-25;/h18-20,22-23H,3-17,21,24,27H2,1-2H3;1H
InChIKeyPZOWDIWXSBKIPS-UHFFFAOYSA-N
XLogP8.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.13
LogP ≤ 58.93
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

2-phenyldecan-2-amine
CID 63408050
(2R)-2-phenylhexan-2-amine;hydrochloride
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(2S)-2-phenylhexan-2-amine
CID 10889241
1,1-diphenyldodecan-1-amine
CID 19925745
1,1-diphenylhexan-1-amine
CID 20568221
2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide
CID 175600544
2-pyridin-3-yloctan-2-amine
CID 174517914
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-amino-2-phenylnonanoic acid;hydrochloride
CID 11208398
tert-butylbenzene;hexane
CID 175254424
2-(4-methoxyphenyl)heptan-2-amine
CID 62621826
5-butylhexadecan-5-ylbenzene
CID 173084700

Frequently Asked Questions

What is the IUPAC name of 2-phenylicosan-2-amine;hydrochloride?
The IUPAC name of 2-phenylicosan-2-amine;hydrochloride (CID 173065845) is 2-phenylicosan-2-amine;hydrochloride.
What is the SMILES notation for 2-phenylicosan-2-amine;hydrochloride?
The canonical SMILES for 2-phenylicosan-2-amine;hydrochloride is CCCCCCCCCCCCCCCCCCC(C)(N)c1ccccc1.Cl.
What is the InChIKey of 2-phenylicosan-2-amine;hydrochloride?
The InChIKey is PZOWDIWXSBKIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(2,27)25-22-19-18-20-23-25;/h18-20,22-23H,3-17,21,24,27H2,1-2H3;1H.
What are the key properties of 2-phenylicosan-2-amine;hydrochloride?
2-phenylicosan-2-amine;hydrochloride has a molecular weight of 410.13 g/mol, XLogP of 8.93, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylicosan-2-amine;hydrochloride is sourced from PubChem (CID 173065845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).