1,1,2-triphenyltetradecan-1-amine

C32H43N — CID 87776795

IUPAC1,1,2-triphenyltetradecan-1-amine
SMILESCCCCCCCCCCCCC(c1ccccc1)C(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H43N/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28)32(33,29-23-16-12-17-24-29)30-25-18-13-19-26-30/h11-19,21-26,31H,2-10,20,27,33H2,1H3
InChIKeyMBXXNBRTIPVOQG-UHFFFAOYSA-N
MW441.70 g/mol
LogP8.98
Rot. Bonds15

About 1,1,2-triphenyltetradecan-1-amine

1,1,2-triphenyltetradecan-1-amine (PubChem CID 87776795) has the molecular formula C32H43N and a molecular weight of 441.70 g/mol. Its IUPAC name is 1,1,2-triphenyltetradecan-1-amine.

Molecular Properties

Compound Name1,1,2-triphenyltetradecan-1-amine
PubChem CID87776795
Molecular FormulaC32H43N
Molecular Weight441.70 g/mol
Exact Mass441.34
IUPAC Name1,1,2-triphenyltetradecan-1-amine
SMILESCCCCCCCCCCCCC(c1ccccc1)C(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H43N/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28)32(33,29-23-16-12-17-24-29)30-25-18-13-19-26-30/h11-19,21-26,31H,2-10,20,27,33H2,1H3
InChIKeyMBXXNBRTIPVOQG-UHFFFAOYSA-N
XLogP8.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.70
LogP ≤ 58.98
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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5-phenyl-4-propylpentadecan-4-amine;hydrochloride
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1,1,2-triphenylhexadecylphosphane;hydrochloride
CID 118389380
2-hydroxy-2,3-diphenyloctadecanoic acid
CID 70385778
2-amino-2-methyl-3-phenyldodecan-1-ol
CID 174465183
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CID 151297079
2,2-dichloroundecan-3-ylbenzene
CID 151571814
1,1,2-triphenyloctoxyboronic acid
CID 70257152
3,3-diphenylhenicosan-4-amine;hydrochloride
CID 173426885
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
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CID 150432163

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triphenyltetradecan-1-amine?
The IUPAC name of 1,1,2-triphenyltetradecan-1-amine (CID 87776795) is 1,1,2-triphenyltetradecan-1-amine.
What is the SMILES notation for 1,1,2-triphenyltetradecan-1-amine?
The canonical SMILES for 1,1,2-triphenyltetradecan-1-amine is CCCCCCCCCCCCC(c1ccccc1)C(N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,2-triphenyltetradecan-1-amine?
The InChIKey is MBXXNBRTIPVOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28)32(33,29-23-16-12-17-24-29)30-25-18-13-19-26-30/h11-19,21-26,31H,2-10,20,27,33H2,1H3.
What are the key properties of 1,1,2-triphenyltetradecan-1-amine?
1,1,2-triphenyltetradecan-1-amine has a molecular weight of 441.70 g/mol, XLogP of 8.98, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triphenyltetradecan-1-amine is sourced from PubChem (CID 87776795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).