2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine

C18H29NO — CID 79339654

IUPAC2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(C=C(CNCC(C)C)C(C)C)cc1C
InChIInChI=1S/C18H29NO/c1-13(2)11-19-12-17(14(3)4)10-16-7-8-18(20-6)15(5)9-16/h7-10,13-14,19H,11-12H2,1-6H3
InChIKeyNFQKBJJZHFVCEF-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.29
Rot. Bonds7

About 2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine

2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 79339654) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID79339654
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(C=C(CNCC(C)C)C(C)C)cc1C
InChIInChI=1S/C18H29NO/c1-13(2)11-19-12-17(14(3)4)10-16-7-8-18(20-6)15(5)9-16/h7-10,13-14,19H,11-12H2,1-6H3
InChIKeyNFQKBJJZHFVCEF-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339393
2-[(3-fluoro-4-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339839
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329371
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79342914
N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79338705
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79342677
2-[(4-fluorophenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339124
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339699
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79342187
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344074
2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79339633
2-[(4-methoxy-3-methylphenyl)methylidene]-N-methylbutan-1-amine
CID 79330304

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 79339654) is 2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine is COc1ccc(C=C(CNCC(C)C)C(C)C)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is NFQKBJJZHFVCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13(2)11-19-12-17(14(3)4)10-16-7-8-18(20-6)15(5)9-16/h7-10,13-14,19H,11-12H2,1-6H3.
What are the key properties of 2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79339654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).