3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine

C15H23NO — CID 115113293

IUPAC3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine
SMILESCOC1(CCc2ccc(CCCN)cc2)CC1
InChIInChI=1S/C15H23NO/c1-17-15(10-11-15)9-8-14-6-4-13(5-7-14)3-2-12-16/h4-7H,2-3,8-12,16H2,1H3
InChIKeyOXZQOGQYASHIOH-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.69
Rot. Bonds7

About 3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine

3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine (PubChem CID 115113293) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine
PubChem CID115113293
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine
SMILESCOC1(CCc2ccc(CCCN)cc2)CC1
InChIInChI=1S/C15H23NO/c1-17-15(10-11-15)9-8-14-6-4-13(5-7-14)3-2-12-16/h4-7H,2-3,8-12,16H2,1H3
InChIKeyOXZQOGQYASHIOH-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine?
The IUPAC name of 3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine (CID 115113293) is 3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine?
The canonical SMILES for 3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine is COC1(CCc2ccc(CCCN)cc2)CC1.
What is the InChIKey of 3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine?
The InChIKey is OXZQOGQYASHIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-17-15(10-11-15)9-8-14-6-4-13(5-7-14)3-2-12-16/h4-7H,2-3,8-12,16H2,1H3.
What are the key properties of 3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine?
3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1-methoxycyclopropyl)ethyl]phenyl]propan-1-amine is sourced from PubChem (CID 115113293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).