3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine

C16H25NO — CID 103029487

IUPAC3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCNC(CC(C)(C)OC)C1CC1c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2,18-4)11-15(17-3)14-10-13(14)12-8-6-5-7-9-12/h5-9,13-15,17H,10-11H2,1-4H3
InChIKeyDEJZFKARMMDFEK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.19
Rot. Bonds6

About 3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine

3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine (PubChem CID 103029487) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
PubChem CID103029487
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCNC(CC(C)(C)OC)C1CC1c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2,18-4)11-15(17-3)14-10-13(14)12-8-6-5-7-9-12/h5-9,13-15,17H,10-11H2,1-4H3
InChIKeyDEJZFKARMMDFEK-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517722
N-methyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517453
2-cyclopropyl-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517798
4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 103031750
3-ethyl-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105028477
N-methyl-1-(2-phenylcyclopropyl)but-3-en-1-amine
CID 116660529
2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 116517771
2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116725506
[3-methoxy-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105267261
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
CID 105188962
2-(4-bromothiophen-2-yl)-N-methyl-1-(2-phenylcyclopropyl)ethanamine
CID 115848042
2-methoxy-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 116718802

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine (CID 103029487) is 3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine is CNC(CC(C)(C)OC)C1CC1c1ccccc1.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine?
The InChIKey is DEJZFKARMMDFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,18-4)11-15(17-3)14-10-13(14)12-8-6-5-7-9-12/h5-9,13-15,17H,10-11H2,1-4H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine?
3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine is sourced from PubChem (CID 103029487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).