N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine

C17H16F3N — CID 62223639

IUPACN-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCc3ccc(F)cc3F)C2)cc1
InChIInChI=1S/C17H16F3N/c18-14-4-1-11(2-5-14)13-7-16(8-13)21-10-12-3-6-15(19)9-17(12)20/h1-6,9,13,16,21H,7-8,10H2
InChIKeyNWWXARRNFKQYKW-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.14
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine

N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine (PubChem CID 62223639) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
PubChem CID62223639
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCc3ccc(F)cc3F)C2)cc1
InChIInChI=1S/C17H16F3N/c18-14-4-1-11(2-5-14)13-7-16(8-13)21-10-12-3-6-15(19)9-17(12)20/h1-6,9,13,16,21H,7-8,10H2
InChIKeyNWWXARRNFKQYKW-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-N-[(2,4-difluorophenyl)methyl]cyclobutan-1-amine
CID 62223797
N-[(2,4-difluorophenyl)methyl]thietan-3-amine
CID 130654551
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62537092
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
CID 79459161
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
CID 63455619
N-[(2,4-difluorophenyl)methyl]-1-oxothian-4-amine
CID 55048533
3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 54896470
3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
CID 54897195
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61033402
N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 61401388
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine (CID 62223639) is N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine is Fc1ccc(C2CC(NCc3ccc(F)cc3F)C2)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The InChIKey is NWWXARRNFKQYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c18-14-4-1-11(2-5-14)13-7-16(8-13)21-10-12-3-6-15(19)9-17(12)20/h1-6,9,13,16,21H,7-8,10H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine has a molecular weight of 291.32 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 62223639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).