1,1-dichloro-4-methyl-N-phenylpentan-2-imine

C12H15Cl2N — CID 15621082

IUPAC1,1-dichloro-4-methyl-N-phenylpentan-2-imine
SMILESCC(C)C/C(=N\c1ccccc1)C(Cl)Cl
InChIInChI=1S/C12H15Cl2N/c1-9(2)8-11(12(13)14)15-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/b15-11+
InChIKeyCIRILEJKSSYCRA-RVDMUPIBSA-N
MW244.17 g/mol
LogP4.61
Rot. Bonds4

About 1,1-dichloro-4-methyl-N-phenylpentan-2-imine

1,1-dichloro-4-methyl-N-phenylpentan-2-imine (PubChem CID 15621082) has the molecular formula C12H15Cl2N and a molecular weight of 244.17 g/mol. Its IUPAC name is 1,1-dichloro-4-methyl-N-phenylpentan-2-imine.

Molecular Properties

Compound Name1,1-dichloro-4-methyl-N-phenylpentan-2-imine
PubChem CID15621082
Molecular FormulaC12H15Cl2N
Molecular Weight244.17 g/mol
Exact Mass243.06
IUPAC Name1,1-dichloro-4-methyl-N-phenylpentan-2-imine
SMILESCC(C)C/C(=N\c1ccccc1)C(Cl)Cl
InChIInChI=1S/C12H15Cl2N/c1-9(2)8-11(12(13)14)15-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/b15-11+
InChIKeyCIRILEJKSSYCRA-RVDMUPIBSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 54.61
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

2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine
CID 169215702
triphenyl(2-phenyliminopropyl)phosphanium
CID 23415425
1-di(propan-2-yl)phosphanyl-N,1-diphenylmethanimine
CID 122373224
N-amino-3-[(4-hydrazinyl-4-phenyliminobutan-2-yl)diazenyl]-N'-phenylbutanimidamide
CID 69433881
3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide
CID 159784015
3-amino-1,1-bis(2-methylpropyl)-2-phenylguanidine
CID 116513758
4-methyl-N-[4-[3-(4-methylpentan-2-ylideneamino)phenyl]phenyl]pentan-2-imine
CID 158234860
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
(2-chloro-4-methylpent-1-enyl)benzene
CID 175414445
ethanol;2-phenylguanidine
CID 172840613
2-phenyliminopropane-1,3-diol
CID 159189915

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-4-methyl-N-phenylpentan-2-imine?
The IUPAC name of 1,1-dichloro-4-methyl-N-phenylpentan-2-imine (CID 15621082) is 1,1-dichloro-4-methyl-N-phenylpentan-2-imine.
What is the SMILES notation for 1,1-dichloro-4-methyl-N-phenylpentan-2-imine?
The canonical SMILES for 1,1-dichloro-4-methyl-N-phenylpentan-2-imine is CC(C)C/C(=N\c1ccccc1)C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-4-methyl-N-phenylpentan-2-imine?
The InChIKey is CIRILEJKSSYCRA-RVDMUPIBSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-9(2)8-11(12(13)14)15-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/b15-11+.
What are the key properties of 1,1-dichloro-4-methyl-N-phenylpentan-2-imine?
1,1-dichloro-4-methyl-N-phenylpentan-2-imine has a molecular weight of 244.17 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-4-methyl-N-phenylpentan-2-imine is sourced from PubChem (CID 15621082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).