N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine

C14H20FNO — CID 113429558

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-10(16-13-8-14(9-13)17-2)7-11-3-5-12(15)6-4-11/h3-6,10,13-14,16H,7-9H2,1-2H3
InChIKeyYPPGKQXWAPTANI-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.52
Rot. Bonds5

About N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine

N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine (PubChem CID 113429558) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
PubChem CID113429558
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NC(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FNO/c1-10(16-13-8-14(9-13)17-2)7-11-3-5-12(15)6-4-11/h3-6,10,13-14,16H,7-9H2,1-2H3
InChIKeyYPPGKQXWAPTANI-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
CID 115892356
1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80562355
N-[1-(4-fluorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
CID 62996135
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
3-methoxy-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
CID 104584425
4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782
N-[1-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753673
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine
CID 112553206
3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine
CID 104584500
N-[1-(4-fluorophenyl)propan-2-yl]piperidin-3-amine
CID 62997030
3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine
CID 103787278

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine (CID 113429558) is N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine is COC1CC(NC(C)Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine?
The InChIKey is YPPGKQXWAPTANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(16-13-8-14(9-13)17-2)7-11-3-5-12(15)6-4-11/h3-6,10,13-14,16H,7-9H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 113429558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).