N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine

C19H22FN — CID 81363736

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(N[C@H](C)c2ccccc2F)C1
InChIInChI=1S/C19H22FN/c1-13-7-3-4-8-17(13)15-11-16(12-15)21-14(2)18-9-5-6-10-19(18)20/h3-10,14-16,21H,11-12H2,1-2H3/t14-,15?,16?/m1/s1
InChIKeyZKCVHHWKKDNTSO-QQFBHYJXSA-N
MW283.39 g/mol
LogP4.73
Rot. Bonds4

About N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine

N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine (PubChem CID 81363736) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
PubChem CID81363736
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(N[C@H](C)c2ccccc2F)C1
InChIInChI=1S/C19H22FN/c1-13-7-3-4-8-17(13)15-11-16(12-15)21-14(2)18-9-5-6-10-19(18)20/h3-10,14-16,21H,11-12H2,1-2H3/t14-,15?,16?/m1/s1
InChIKeyZKCVHHWKKDNTSO-QQFBHYJXSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43680086
3-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81370958
3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 60926948
N-[1-(furan-2-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635534
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine
CID 81349466
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635375
3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902696
3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 81363104
N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448317
N-(3-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 54949555

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine (CID 81363736) is N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine is Cc1ccccc1C1CC(N[C@H](C)c2ccccc2F)C1.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
The InChIKey is ZKCVHHWKKDNTSO-QQFBHYJXSA-N. The full InChI is InChI=1S/C19H22FN/c1-13-7-3-4-8-17(13)15-11-16(12-15)21-14(2)18-9-5-6-10-19(18)20/h3-10,14-16,21H,11-12H2,1-2H3/t14-,15?,16?/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine?
N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 81363736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).