N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine

C22H22FN3 — CID 66962787

IUPACN-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine
SMILESFc1ccc(C(NC2CCC2)C(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C22H22FN3/c23-19-10-8-16(9-11-19)22(26-20-6-1-7-20)21(17-4-2-12-24-14-17)18-5-3-13-25-15-18/h2-5,8-15,20-22,26H,1,6-7H2
InChIKeyMSNRCDQCORAJJM-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.63
Rot. Bonds6

About N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine

N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine (PubChem CID 66962787) has the molecular formula C22H22FN3 and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine
PubChem CID66962787
Molecular FormulaC22H22FN3
Molecular Weight347.44 g/mol
Exact Mass347.18
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine
SMILESFc1ccc(C(NC2CCC2)C(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C22H22FN3/c23-19-10-8-16(9-11-19)22(26-20-6-1-7-20)21(17-4-2-12-24-14-17)18-5-3-13-25-15-18/h2-5,8-15,20-22,26H,1,6-7H2
InChIKeyMSNRCDQCORAJJM-UHFFFAOYSA-N
XLogP4.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol
CID 66962287
N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine
CID 66962669
(1R,2R)-2-(cyclohexylamino)-1-phenyl-2-pyridin-3-ylethanol
CID 15247406
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 51693922
3-(4-fluorophenyl)-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 43634317
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
(2R)-2-(cyclopentylamino)-2-pyridin-3-ylacetic acid
CID 93412375
4-ethyl-N-[(1S)-1-pyridin-3-ylethyl]cycloheptan-1-amine
CID 81407640
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3196483

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine (CID 66962787) is N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine is Fc1ccc(C(NC2CCC2)C(c2cccnc2)c2cccnc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine?
The InChIKey is MSNRCDQCORAJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3/c23-19-10-8-16(9-11-19)22(26-20-6-1-7-20)21(17-4-2-12-24-14-17)18-5-3-13-25-15-18/h2-5,8-15,20-22,26H,1,6-7H2.
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine?
N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine has a molecular weight of 347.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]cyclobutanamine is sourced from PubChem (CID 66962787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).