3-methyl-1,1,1-triphenylbutan-2-amine

C23H25N — CID 67050578

IUPAC3-methyl-1,1,1-triphenylbutan-2-amine
SMILESCC(C)C(N)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N/c1-18(2)22(24)23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22H,24H2,1-2H3
InChIKeyIEJIWUZMWNPIKC-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.00
Rot. Bonds5

About 3-methyl-1,1,1-triphenylbutan-2-amine

3-methyl-1,1,1-triphenylbutan-2-amine (PubChem CID 67050578) has the molecular formula C23H25N and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-methyl-1,1,1-triphenylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1,1,1-triphenylbutan-2-amine
PubChem CID67050578
Molecular FormulaC23H25N
Molecular Weight315.46 g/mol
Exact Mass315.20
IUPAC Name3-methyl-1,1,1-triphenylbutan-2-amine
SMILESCC(C)C(N)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25N/c1-18(2)22(24)23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22H,24H2,1-2H3
InChIKeyIEJIWUZMWNPIKC-UHFFFAOYSA-N
XLogP5.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.00
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

1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine
CID 54046222
(2S)-1,1-diphenylpropane-1,2-diamine
CID 11172185
3-amino-4,4-diphenylpentan-2-ol
CID 18533371
3-methyl-3-phenylbutan-2-amine;hydrochloride
CID 24841347
(2S)-2-phenylbutane-2,3-diamine
CID 175403934
1,1,1-triphenylhexan-2-amine
CID 164823082
methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene
CID 158331426
2-amino-1-(4-methylphenyl)-1-phenylpropan-1-ol
CID 19358994
1-(1,1-diphenylethoxy)ethanamine
CID 66761557
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
(2,2-dichloro-1,1-diphenylethyl)benzene
CID 141484377
3-ethyl-5-methyl-3-phenylheptan-4-amine
CID 79446709

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1,1-triphenylbutan-2-amine?
The IUPAC name of 3-methyl-1,1,1-triphenylbutan-2-amine (CID 67050578) is 3-methyl-1,1,1-triphenylbutan-2-amine.
What is the SMILES notation for 3-methyl-1,1,1-triphenylbutan-2-amine?
The canonical SMILES for 3-methyl-1,1,1-triphenylbutan-2-amine is CC(C)C(N)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-methyl-1,1,1-triphenylbutan-2-amine?
The InChIKey is IEJIWUZMWNPIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N/c1-18(2)22(24)23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22H,24H2,1-2H3.
What are the key properties of 3-methyl-1,1,1-triphenylbutan-2-amine?
3-methyl-1,1,1-triphenylbutan-2-amine has a molecular weight of 315.46 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1,1-triphenylbutan-2-amine is sourced from PubChem (CID 67050578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).