N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine

C16H25NO — CID 79339946

IUPACN,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
SMILESCNCC(=Cc1ccc(OC(C)C)cc1)C(C)C
InChIInChI=1S/C16H25NO/c1-12(2)15(11-17-5)10-14-6-8-16(9-7-14)18-13(3)4/h6-10,12-13,17H,11H2,1-5H3
InChIKeyHYMVRGCQMSULLE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.73
Rot. Bonds6

About N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine

N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine (PubChem CID 79339946) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
PubChem CID79339946
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
SMILESCNCC(=Cc1ccc(OC(C)C)cc1)C(C)C
InChIInChI=1S/C16H25NO/c1-12(2)15(11-17-5)10-14-6-8-16(9-7-14)18-13(3)4/h6-10,12-13,17H,11H2,1-5H3
InChIKeyHYMVRGCQMSULLE-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-3-methyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine
CID 79342446
2-methyl-3-(4-propan-2-yloxyphenyl)-N-propylprop-2-en-1-amine
CID 79340910
N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine
CID 79338967
2-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methylidene]-N,3-dimethylbutan-1-amine
CID 79339060
N-methyl-2-(methylamino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 96676263
2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339418
2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978
2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338727
N-methyl-4-propan-2-yloxyaniline
CID 18002910
2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338904
1-[(E)-2-phenylethenyl]-4-propan-2-yloxybenzene
CID 168849749
1-[2-(chloromethyl)-3-methylbut-1-enyl]-4-ethoxybenzene
CID 79334247

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine (CID 79339946) is N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine is CNCC(=Cc1ccc(OC(C)C)cc1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine?
The InChIKey is HYMVRGCQMSULLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)15(11-17-5)10-14-6-8-16(9-7-14)18-13(3)4/h6-10,12-13,17H,11H2,1-5H3.
What are the key properties of N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine?
N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(4-propan-2-yloxyphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79339946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).