N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine

C19H30FN — CID 65003672

IUPACN-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCC1(CC)CC(CNCC(C)C)(c2ccc(F)cc2)C1
InChIInChI=1S/C19H30FN/c1-5-18(6-2)12-19(13-18,14-21-11-15(3)4)16-7-9-17(20)10-8-16/h7-10,15,21H,5-6,11-14H2,1-4H3
InChIKeyCEKSDBFQSYLVCX-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.91
Rot. Bonds7

About N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine

N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 65003672) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID65003672
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCC1(CC)CC(CNCC(C)C)(c2ccc(F)cc2)C1
InChIInChI=1S/C19H30FN/c1-5-18(6-2)12-19(13-18,14-21-11-15(3)4)16-7-9-17(20)10-8-16/h7-10,15,21H,5-6,11-14H2,1-4H3
InChIKeyCEKSDBFQSYLVCX-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65003671
N-[(3,3-diethyl-1-phenylcyclobutyl)methyl]ethanamine
CID 65004114
N-[[3,3-dimethyl-1-(4-methylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 64997816
N-[[1-(3-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64997970
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine
CID 65009555
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine
CID 65008179
N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008610
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
CID 62594197
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 63509925
N-[[1-(4-fluorophenyl)cyclopent-3-en-1-yl]methyl]propan-2-amine
CID 65353248
2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
CID 63509928

Frequently Asked Questions

What is the IUPAC name of N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 65003672) is N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is CCC1(CC)CC(CNCC(C)C)(c2ccc(F)cc2)C1.
What is the InChIKey of N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CEKSDBFQSYLVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-5-18(6-2)12-19(13-18,14-21-11-15(3)4)16-7-9-17(20)10-8-16/h7-10,15,21H,5-6,11-14H2,1-4H3.
What are the key properties of N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65003672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).