N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine

C18H21FN2 — CID 82733626

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
SMILESCCc1cccnc1CNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C18H21FN2/c1-2-13-6-4-8-20-18(13)12-21-17-10-15(11-17)14-5-3-7-16(19)9-14/h3-9,15,17,21H,2,10-12H2,1H3
InChIKeyIBGNNBLZNLSEBT-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.82
Rot. Bonds5

About N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine

N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine (PubChem CID 82733626) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
PubChem CID82733626
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
SMILESCCc1cccnc1CNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C18H21FN2/c1-2-13-6-4-8-20-18(13)12-21-17-10-15(11-17)14-5-3-7-16(19)9-14/h3-9,15,17,21H,2,10-12H2,1H3
InChIKeyIBGNNBLZNLSEBT-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 82731725
3-(3-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 63305425
N-[(3-ethyl-2-pyridinyl)methyl]oxetan-3-amine
CID 82732740
3-cyclopropyl-N-[(3-ethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 82733186
3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 82733670
3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 63305958
N-[(3-ethyl-2-pyridinyl)methyl]-2-methyloxan-4-amine
CID 82731940
N-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 82731912
3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
CID 43632505
N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine
CID 114940872
N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 63451775
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82733889

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine (CID 82733626) is N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine is CCc1cccnc1CNC1CC(c2cccc(F)c2)C1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine?
The InChIKey is IBGNNBLZNLSEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-2-13-6-4-8-20-18(13)12-21-17-10-15(11-17)14-5-3-7-16(19)9-14/h3-9,15,17,21H,2,10-12H2,1H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine?
N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine has a molecular weight of 284.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 82733626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).