2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine

C13H18FNO — CID 83154876

IUPAC2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(F)cc1C(N)C(C)C1CC1
InChIInChI=1S/C13H18FNO/c1-8(9-3-4-9)13(15)11-7-10(14)5-6-12(11)16-2/h5-9,13H,3-4,15H2,1-2H3
InChIKeyNMQUBDADWWGWAO-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.88
Rot. Bonds4

About 2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine

2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 83154876) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
PubChem CID83154876
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(F)cc1C(N)C(C)C1CC1
InChIInChI=1S/C13H18FNO/c1-8(9-3-4-9)13(15)11-7-10(14)5-6-12(11)16-2/h5-9,13H,3-4,15H2,1-2H3
InChIKeyNMQUBDADWWGWAO-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
(1R,2S)-2-amino-1-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171268203
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
CID 165347841
2-cyclopropyl-1-(3,4-dimethoxyphenyl)propan-1-amine
CID 83155157
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 116941932
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine (CID 83154876) is 2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine is COc1ccc(F)cc1C(N)C(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is NMQUBDADWWGWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-8(9-3-4-9)13(15)11-7-10(14)5-6-12(11)16-2/h5-9,13H,3-4,15H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83154876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).