3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine

C14H20ClN — CID 10514054

IUPAC3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine
SMILESC/C(=N\C(C)(C)c1ccccc1)C(C)(C)Cl
InChIInChI=1S/C14H20ClN/c1-11(13(2,3)15)16-14(4,5)12-9-7-6-8-10-12/h6-10H,1-5H3/b16-11+
InChIKeyCFLVSEZSAMMXGZ-LFIBNONCSA-N
MW237.77 g/mol
LogP4.40
Rot. Bonds3

About 3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine

3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine (PubChem CID 10514054) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine.

Molecular Properties

Compound Name3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine
PubChem CID10514054
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine
SMILESC/C(=N\C(C)(C)c1ccccc1)C(C)(C)Cl
InChIInChI=1S/C14H20ClN/c1-11(13(2,3)15)16-14(4,5)12-9-7-6-8-10-12/h6-10H,1-5H3/b16-11+
InChIKeyCFLVSEZSAMMXGZ-LFIBNONCSA-N
XLogP4.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-(3,3-diphenylbutan-2-ylidene)hydroxylamine
CID 15259766
(1Z)-2-chloro-2-phenylpropanehydrazonate
CID 23219679
(3-chloro-3-methyl-2-phenylbutan-2-yl)silane
CID 173111799
tert-butylbenzene;chloromethane;ethane
CID 91149652
2-chloro-2-phenylpropan-1-ol
CID 21408065
N-(2-phenylpropan-2-yl)ethanimine
CID 58860743
dichloro(phenyl)methanol
CID 25493
1-(1-methylcyclopropyl)-N-(2-phenylpropan-2-yl)butan-1-imine
CID 164922208
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
1-[1-(4-methylphenyl)ethylideneamino]-1-phenylethanamine
CID 175636969
[(1S)-1-chloro-1-phenylethyl]phosphonic acid
CID 129361633

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine?
The IUPAC name of 3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine (CID 10514054) is 3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine.
What is the SMILES notation for 3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine?
The canonical SMILES for 3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine is C/C(=N\C(C)(C)c1ccccc1)C(C)(C)Cl.
What is the InChIKey of 3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine?
The InChIKey is CFLVSEZSAMMXGZ-LFIBNONCSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11(13(2,3)15)16-14(4,5)12-9-7-6-8-10-12/h6-10H,1-5H3/b16-11+.
What are the key properties of 3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine?
3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine has a molecular weight of 237.77 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-methyl-N-(2-phenylpropan-2-yl)butan-2-imine is sourced from PubChem (CID 10514054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).