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

C16H25NO — CID 116719956

IUPAC2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCNC(C1CC1c1ccccc1)C(OC)C(C)C
InChIInChI=1S/C16H25NO/c1-11(2)16(18-4)15(17-3)14-10-13(14)12-8-6-5-7-9-12/h5-9,11,13-17H,10H2,1-4H3
InChIKeyGACWMMVYRVTNFP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.05
Rot. Bonds6

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

2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine (PubChem CID 116719956) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine.

Molecular Properties

Compound Name2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
PubChem CID116719956
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
SMILESCNC(C1CC1c1ccccc1)C(OC)C(C)C
InChIInChI=1S/C16H25NO/c1-11(2)16(18-4)15(17-3)14-10-13(14)12-8-6-5-7-9-12/h5-9,11,13-17H,10H2,1-4H3
InChIKeyGACWMMVYRVTNFP-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
CID 116718802
2-ethoxy-N-ethyl-3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116721385
N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517740
2-ethoxy-N,3,3-trimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116725506
[2,3-dimethyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105341543
N-methyl-1-(2-phenylcyclopropyl)prop-2-yn-1-amine
CID 104995936
2-methoxy-N,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517722
[2-methyl-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105219816
3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 103029487
2-cyclopropyl-N-ethyl-2-methoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116722479
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
[3-methoxy-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105267261

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine?
The IUPAC name of 2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine (CID 116719956) is 2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine.
What is the SMILES notation for 2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine?
The canonical SMILES for 2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine is CNC(C1CC1c1ccccc1)C(OC)C(C)C.
What is the InChIKey of 2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine?
The InChIKey is GACWMMVYRVTNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)16(18-4)15(17-3)14-10-13(14)12-8-6-5-7-9-12/h5-9,11,13-17H,10H2,1-4H3.
What are the key properties of 2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine?
2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine is sourced from PubChem (CID 116719956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).