N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine

C17H16ClF2N — CID 62537092

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCc3ccc(F)c(Cl)c3)C2)cc1
InChIInChI=1S/C17H16ClF2N/c18-16-7-11(1-6-17(16)20)10-21-15-8-13(9-15)12-2-4-14(19)5-3-12/h1-7,13,15,21H,8-10H2
InChIKeyZKUWFMWDGZIWMH-UHFFFAOYSA-N
MW307.77 g/mol
LogP4.65
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine

N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine (PubChem CID 62537092) has the molecular formula C17H16ClF2N and a molecular weight of 307.77 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
PubChem CID62537092
Molecular FormulaC17H16ClF2N
Molecular Weight307.77 g/mol
Exact Mass307.09
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
SMILESFc1ccc(C2CC(NCc3ccc(F)c(Cl)c3)C2)cc1
InChIInChI=1S/C17H16ClF2N/c18-16-7-11(1-6-17(16)20)10-21-15-8-13(9-15)12-2-4-14(19)5-3-12/h1-7,13,15,21H,8-10H2
InChIKeyZKUWFMWDGZIWMH-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62223639
N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 61401388
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 62539237
[4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229852
4-tert-butyl-N-[(3-chloro-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 63476637
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634406
3-chloro-N-[(4-chloro-3-fluorophenyl)methyl]cyclobutan-1-amine
CID 107887459
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 81144619
3-(4-fluorophenyl)-N-(1H-pyrazol-4-ylmethyl)cyclobutan-1-amine
CID 54897195
4-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81155541
3-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81157197
4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline
CID 43716640

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine (CID 62537092) is N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine is Fc1ccc(C2CC(NCc3ccc(F)c(Cl)c3)C2)cc1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
The InChIKey is ZKUWFMWDGZIWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N/c18-16-7-11(1-6-17(16)20)10-21-15-8-13(9-15)12-2-4-14(19)5-3-12/h1-7,13,15,21H,8-10H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine has a molecular weight of 307.77 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 62537092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).