1,1,1-triphenylhexan-2-amine

C24H27N — CID 164823082

IUPAC1,1,1-triphenylhexan-2-amine
SMILESCCCCC(N)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N/c1-2-3-19-23(25)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,2-3,19,25H2,1H3
InChIKeyPPHLQOCVDFVNIN-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.54
Rot. Bonds7

About 1,1,1-triphenylhexan-2-amine

1,1,1-triphenylhexan-2-amine (PubChem CID 164823082) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 1,1,1-triphenylhexan-2-amine.

Molecular Properties

Compound Name1,1,1-triphenylhexan-2-amine
PubChem CID164823082
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name1,1,1-triphenylhexan-2-amine
SMILESCCCCC(N)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N/c1-2-3-19-23(25)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,2-3,19,25H2,1H3
InChIKeyPPHLQOCVDFVNIN-UHFFFAOYSA-N
XLogP5.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-phenylnonan-3-amine
CID 63420123
(2-butyl-1,1-diphenyldecyl)benzene
CID 150177254
2,2-diphenyloctadecan-3-amine;hydrochloride
CID 173427037
3-ethyl-3-phenyltricosan-4-amine
CID 21316172
3-ethyl-3-phenylheptadecan-4-amine;hydrochloride
CID 173450724
3,3-diphenylhenicosan-4-amine;hydrochloride
CID 173426885
(2S)-1-bromo-1,1-diphenylpentan-2-amine
CID 141139312
tributyl(trityl)phosphanium fluoride
CID 18356165
1-phenyloctan-4-amine
CID 79413314
tert-butylbenzene;hexane
CID 175254424
3-N,3-N-diethyl-2-phenylheptane-2,3-diamine
CID 43829678
1,1-diphenylpentan-1-amine
CID 10263654

Frequently Asked Questions

What is the IUPAC name of 1,1,1-triphenylhexan-2-amine?
The IUPAC name of 1,1,1-triphenylhexan-2-amine (CID 164823082) is 1,1,1-triphenylhexan-2-amine.
What is the SMILES notation for 1,1,1-triphenylhexan-2-amine?
The canonical SMILES for 1,1,1-triphenylhexan-2-amine is CCCCC(N)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1,1-triphenylhexan-2-amine?
The InChIKey is PPHLQOCVDFVNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-2-3-19-23(25)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,2-3,19,25H2,1H3.
What are the key properties of 1,1,1-triphenylhexan-2-amine?
1,1,1-triphenylhexan-2-amine has a molecular weight of 329.49 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triphenylhexan-2-amine is sourced from PubChem (CID 164823082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).