N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine

C14H20FNO — CID 115892503

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
SMILESCOc1ccc(C(C)NC2CC(C)C2)cc1F
InChIInChI=1S/C14H20FNO/c1-9-6-12(7-9)16-10(2)11-4-5-14(17-3)13(15)8-11/h4-5,8-10,12,16H,6-7H2,1-3H3
InChIKeyHCXWRTFOAIGTRA-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.28
Rot. Bonds4

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine (PubChem CID 115892503) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
PubChem CID115892503
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
SMILESCOc1ccc(C(C)NC2CC(C)C2)cc1F
InChIInChI=1S/C14H20FNO/c1-9-6-12(7-9)16-10(2)11-4-5-14(17-3)13(15)8-11/h4-5,8-10,12,16H,6-7H2,1-3H3
InChIKeyHCXWRTFOAIGTRA-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751793
4-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 43225789
3-methyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclobutan-1-amine
CID 115892491
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705092
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 43317684
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylcyclopropan-1-amine
CID 103902769
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
cis-(1S,2R)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 51708004
1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544711
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine (CID 115892503) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine is COc1ccc(C(C)NC2CC(C)C2)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine?
The InChIKey is HCXWRTFOAIGTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9-6-12(7-9)16-10(2)11-4-5-14(17-3)13(15)8-11/h4-5,8-10,12,16H,6-7H2,1-3H3.
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115892503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).