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

C14H20FN — CID 115892356

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NC(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN/c1-10-7-14(8-10)16-11(2)9-12-3-5-13(15)6-4-12/h3-6,10-11,14,16H,7-9H2,1-2H3
InChIKeyAIDLWZXFJOHCHQ-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.14
Rot. Bonds4

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

N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine (PubChem CID 115892356) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
PubChem CID115892356
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NC(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H20FN/c1-10-7-14(8-10)16-11(2)9-12-3-5-13(15)6-4-12/h3-6,10-11,14,16H,7-9H2,1-2H3
InChIKeyAIDLWZXFJOHCHQ-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-[1-(4-fluorophenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80562355
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558
N-[1-(4-fluorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
CID 62996135
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
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-fluorophenyl)propan-2-yl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63462584
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
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[1-(4-fluorophenyl)propan-2-yl]-1-methylazepan-4-amine
CID 65074925

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine (CID 115892356) is N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine is CC1CC(NC(C)Cc2ccc(F)cc2)C1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine?
The InChIKey is AIDLWZXFJOHCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-7-14(8-10)16-11(2)9-12-3-5-13(15)6-4-12/h3-6,10-11,14,16H,7-9H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115892356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).