1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine

C13H19NO2 — CID 112501445

IUPAC1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine
SMILESCOc1ccc(OCCC(N)C2CC2)cc1
InChIInChI=1S/C13H19NO2/c1-15-11-4-6-12(7-5-11)16-9-8-13(14)10-2-3-10/h4-7,10,13H,2-3,8-9,14H2,1H3
InChIKeyYAMXPHNPEBWCJQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.20
Rot. Bonds6

About 1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine

1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine (PubChem CID 112501445) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine
PubChem CID112501445
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine
SMILESCOc1ccc(OCCC(N)C2CC2)cc1
InChIInChI=1S/C13H19NO2/c1-15-11-4-6-12(7-5-11)16-9-8-13(14)10-2-3-10/h4-7,10,13H,2-3,8-9,14H2,1H3
InChIKeyYAMXPHNPEBWCJQ-UHFFFAOYSA-N
XLogP2.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
1-[4-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 126586754
1-(1-ethylpiperidin-4-yl)-2-(4-methoxyphenoxy)ethanamine
CID 117238940
methyl 2-amino-4-(4-methoxyphenoxy)butanoate
CID 63041427
3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one
CID 116608794
1-[4-[4-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-amine
CID 143707742
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925518
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine
CID 126539512
1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 63528924
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 63913419

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine (CID 112501445) is 1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine is COc1ccc(OCCC(N)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine?
The InChIKey is YAMXPHNPEBWCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-11-4-6-12(7-5-11)16-9-8-13(14)10-2-3-10/h4-7,10,13H,2-3,8-9,14H2,1H3.
What are the key properties of 1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine?
1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine is sourced from PubChem (CID 112501445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).