4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine

C16H25NO — CID 103031750

IUPAC4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CC1c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2,18-3)10-9-15(17)14-11-13(14)12-7-5-4-6-8-12/h4-8,13-15H,9-11,17H2,1-3H3
InChIKeySVDYFQWCDHFCIP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds6

About 4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine

4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine (PubChem CID 103031750) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
PubChem CID103031750
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine
SMILESCOC(C)(C)CCC(N)C1CC1c1ccccc1
InChIInChI=1S/C16H25NO/c1-16(2,18-3)10-9-15(17)14-11-13(14)12-7-5-4-6-8-12/h4-8,13-15H,9-11,17H2,1-3H3
InChIKeySVDYFQWCDHFCIP-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N,3-dimethyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 103029487
1-(2-phenylcyclopropyl)propan-1-amine
CID 116517334
3-methyl-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517331
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
1-(2-phenylcyclopropyl)hex-5-en-1-amine
CID 104987040
3-methyl-1-(2-phenylcyclopropyl)hexan-1-amine
CID 115845595
2-methoxy-N,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517722
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine
CID 103032021
3-(2-phenylcyclopropyl)butan-1-amine
CID 116518610
1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxy-4-methylpentan-1-amine
CID 103032406
2-N,2-N,2-trimethyl-1-(2-phenylcyclopropyl)butane-1,2-diamine
CID 116517679
[3-methoxy-1-(2-phenylcyclopropyl)butyl]hydrazine
CID 105267261

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine (CID 103031750) is 4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine is COC(C)(C)CCC(N)C1CC1c1ccccc1.
What is the InChIKey of 4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine?
The InChIKey is SVDYFQWCDHFCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,18-3)10-9-15(17)14-11-13(14)12-7-5-4-6-8-12/h4-8,13-15H,9-11,17H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine?
4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(2-phenylcyclopropyl)pentan-1-amine is sourced from PubChem (CID 103031750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).