2-phenyldecan-2-amine

C16H27N — CID 63408050

IUPAC2-phenyldecan-2-amine
SMILESCCCCCCCCC(C)(N)c1ccccc1
InChIInChI=1S/C16H27N/c1-3-4-5-6-7-11-14-16(2,17)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14,17H2,1-2H3
InChIKeyJLWFNEOXVIICPG-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.61
Rot. Bonds8

About 2-phenyldecan-2-amine

2-phenyldecan-2-amine (PubChem CID 63408050) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-phenyldecan-2-amine.

Molecular Properties

Compound Name2-phenyldecan-2-amine
PubChem CID63408050
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-phenyldecan-2-amine
SMILESCCCCCCCCC(C)(N)c1ccccc1
InChIInChI=1S/C16H27N/c1-3-4-5-6-7-11-14-16(2,17)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14,17H2,1-2H3
InChIKeyJLWFNEOXVIICPG-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.61
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-phenylicosan-2-amine;hydrochloride
CID 173065845
(2S)-2-phenylhexan-2-amine
CID 10889241
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
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
tert-butylbenzene;hexane
CID 175254424
2-(4-methoxyphenyl)heptan-2-amine
CID 62621826
5-butylhexadecan-5-ylbenzene
CID 173084700
1,1-diphenylpentan-1-amine
CID 10263654

Frequently Asked Questions

What is the IUPAC name of 2-phenyldecan-2-amine?
The IUPAC name of 2-phenyldecan-2-amine (CID 63408050) is 2-phenyldecan-2-amine.
What is the SMILES notation for 2-phenyldecan-2-amine?
The canonical SMILES for 2-phenyldecan-2-amine is CCCCCCCCC(C)(N)c1ccccc1.
What is the InChIKey of 2-phenyldecan-2-amine?
The InChIKey is JLWFNEOXVIICPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-4-5-6-7-11-14-16(2,17)15-12-9-8-10-13-15/h8-10,12-13H,3-7,11,14,17H2,1-2H3.
What are the key properties of 2-phenyldecan-2-amine?
2-phenyldecan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyldecan-2-amine is sourced from PubChem (CID 63408050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).