2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine

C17H27NO — CID 79338998

IUPAC2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOCc1ccccc1C=C(CNC(C)C)C(C)C
InChIInChI=1S/C17H27NO/c1-13(2)17(11-18-14(3)4)10-15-8-6-7-9-16(15)12-19-5/h6-10,13-14,18H,11-12H2,1-5H3
InChIKeyDWOKDGRJACXECG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.87
Rot. Bonds7

About 2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine

2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 79338998) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID79338998
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOCc1ccccc1C=C(CNC(C)C)C(C)C
InChIInChI=1S/C17H27NO/c1-13(2)17(11-18-14(3)4)10-15-8-6-7-9-16(15)12-19-5/h6-10,13-14,18H,11-12H2,1-5H3
InChIKeyDWOKDGRJACXECG-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338904
3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine
CID 79341607
N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine
CID 79340745
2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine
CID 79329088
3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 79725443
3-methyl-2-(naphthalen-2-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79339001
2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79339795
N-[3-[2-(methoxymethyl)phenyl]prop-2-enyl]-2-methylpropan-1-amine
CID 79347420
2-[(4-chlorophenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338727
N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927933
3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
CID 79339623
(2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 81313344

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine (CID 79338998) is 2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine is COCc1ccccc1C=C(CNC(C)C)C(C)C.
What is the InChIKey of 2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is DWOKDGRJACXECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)17(11-18-14(3)4)10-15-8-6-7-9-16(15)12-19-5/h6-10,13-14,18H,11-12H2,1-5H3.
What are the key properties of 2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine?
2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79338998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).