N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine

C17H26FN — CID 64997970

IUPACN-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2cccc(F)c2)CC(C)(C)C1
InChIInChI=1S/C17H26FN/c1-13(2)9-19-12-17(10-16(3,4)11-17)14-6-5-7-15(18)8-14/h5-8,13,19H,9-12H2,1-4H3
InChIKeyJCTONUUODIXAEY-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.13
Rot. Bonds5

About N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine

N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 64997970) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID64997970
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2cccc(F)c2)CC(C)(C)C1
InChIInChI=1S/C17H26FN/c1-13(2)9-19-12-17(10-16(3,4)11-17)14-6-5-7-15(18)8-14/h5-8,13,19H,9-12H2,1-4H3
InChIKeyJCTONUUODIXAEY-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3,3-dimethyl-1-(3-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998081
N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 64997816
N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65003672
N-[[2-(3-fluorophenyl)spiro[3.5]nonan-2-yl]methyl]ethanamine
CID 65007059
N-[[5-(3-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008662
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine
CID 65008179
N-[[3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]ethanamine
CID 64998074
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199475
N-[[1-(3-chlorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methoxyethanamine
CID 64997846
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
N-[[1-(3-methoxyphenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
CID 65353208
N-[[1-(2-chloro-4-fluorophenyl)cyclopent-3-en-1-yl]methyl]-2-methylpropan-1-amine
CID 65353467

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine (CID 64997970) is N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(c2cccc(F)c2)CC(C)(C)C1.
What is the InChIKey of N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JCTONUUODIXAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-13(2)9-19-12-17(10-16(3,4)11-17)14-6-5-7-15(18)8-14/h5-8,13,19H,9-12H2,1-4H3.
What are the key properties of N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64997970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).