1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine

C14H20FNO — CID 105499390

IUPAC1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1c(C)c(F)cc(CCC2(N)CC2)c1C
InChIInChI=1S/C14H20FNO/c1-9-11(4-5-14(16)6-7-14)8-12(15)10(2)13(9)17-3/h8H,4-7,16H2,1-3H3
InChIKeyAMWZLTVJTHOPPB-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.88
Rot. Bonds4

About 1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine

1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine (PubChem CID 105499390) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
PubChem CID105499390
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1c(C)c(F)cc(CCC2(N)CC2)c1C
InChIInChI=1S/C14H20FNO/c1-9-11(4-5-14(16)6-7-14)8-12(15)10(2)13(9)17-3/h8H,4-7,16H2,1-3H3
InChIKeyAMWZLTVJTHOPPB-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480780
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
1-[2-(5-fluoro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460910
1-[2-(3,5-difluoro-2,6-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105483076
1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105484561
O-[(5-fluoro-3-methoxy-2,4-dimethylphenyl)methyl]hydroxylamine
CID 117288503
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
CID 105464943
1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine
CID 105493542
2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
CID 105499062
5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol
CID 105463041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine (CID 105499390) is 1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine is COc1c(C)c(F)cc(CCC2(N)CC2)c1C.
What is the InChIKey of 1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is AMWZLTVJTHOPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9-11(4-5-14(16)6-7-14)8-12(15)10(2)13(9)17-3/h8H,4-7,16H2,1-3H3.
What are the key properties of 1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine?
1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 237.32 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 1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105499390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).