2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine

C15H22ClN — CID 79338727

IUPAC2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(=Cc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H22ClN/c1-11(2)14(10-17-12(3)4)9-13-5-7-15(16)8-6-13/h5-9,11-12,17H,10H2,1-4H3
InChIKeyXFXHMMCRCPWFND-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.38
Rot. Bonds5

About 2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine

2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 79338727) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID79338727
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(=Cc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H22ClN/c1-11(2)14(10-17-12(3)4)9-13-5-7-15(16)8-6-13/h5-9,11-12,17H,10H2,1-4H3
InChIKeyXFXHMMCRCPWFND-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chlorophenyl)methylidene]-3-methylbutan-1-ol
CID 68707841
2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338904
2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79339633
3-methyl-2-(naphthalen-2-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79339001
2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79342203
N,3-dimethyl-2-[(4-methylphenyl)methylidene]butan-1-amine
CID 79339151
(2Z)-4-N-phosphanyl-1-N,2-di(propan-2-yl)penta-2,4-diene-1,4-diamine
CID 155021868
(2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 81313344
3-(2,4-dichlorophenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340831
3-(4-fluoro-3-methylphenyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340617
2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338998
2-[(4-chlorophenyl)methylidene]-N,N'-bis(3-methylbutyl)propanediamide
CID 2375739

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine (CID 79338727) is 2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(=Cc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is XFXHMMCRCPWFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11(2)14(10-17-12(3)4)9-13-5-7-15(16)8-6-13/h5-9,11-12,17H,10H2,1-4H3.
What are the key properties of 2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79338727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).