1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine

C14H20FNO — CID 117347282

IUPAC1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(CC2(N)CC2)cc(F)c1C(C)C
InChIInChI=1S/C14H20FNO/c1-9(2)13-11(15)6-10(7-12(13)17-3)8-14(16)4-5-14/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyHVEJZMRHUNIVPG-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.99
Rot. Bonds4

About 1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine

1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117347282) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
PubChem CID117347282
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(CC2(N)CC2)cc(F)c1C(C)C
InChIInChI=1S/C14H20FNO/c1-9(2)13-11(15)6-10(7-12(13)17-3)8-14(16)4-5-14/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyHVEJZMRHUNIVPG-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
CID 117301384
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine
CID 84789141
2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol
CID 117303138
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 117325737
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine
CID 117347276
1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437506
2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 117382016
2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117324048
1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine
CID 117310192
1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117286906
5-[(1-aminocyclopropyl)methyl]-2,3-dimethoxybenzaldehyde
CID 117342405
1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-amine
CID 117315797

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine (CID 117347282) is 1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine is COc1cc(CC2(N)CC2)cc(F)c1C(C)C.
What is the InChIKey of 1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is HVEJZMRHUNIVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9(2)13-11(15)6-10(7-12(13)17-3)8-14(16)4-5-14/h6-7,9H,4-5,8,16H2,1-3H3.
What are the key properties of 1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117347282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).