N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine

C14H18BrF2N — CID 114223764

IUPACN-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
SMILESFC1(F)CCCC(CNCc2cccc(Br)c2)C1
InChIInChI=1S/C14H18BrF2N/c15-13-5-1-3-11(7-13)9-18-10-12-4-2-6-14(16,17)8-12/h1,3,5,7,12,18H,2,4,6,8-10H2
InChIKeyABBCIMMFCUHWKP-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.36
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine

N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine (PubChem CID 114223764) has the molecular formula C14H18BrF2N and a molecular weight of 318.20 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
PubChem CID114223764
Molecular FormulaC14H18BrF2N
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC NameN-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
SMILESFC1(F)CCCC(CNCc2cccc(Br)c2)C1
InChIInChI=1S/C14H18BrF2N/c15-13-5-1-3-11(7-13)9-18-10-12-4-2-6-14(16,17)8-12/h1,3,5,7,12,18H,2,4,6,8-10H2
InChIKeyABBCIMMFCUHWKP-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
1-(3-bromophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114224567
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214133
N-[(3-bromothiophen-2-yl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
CID 114223869
N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856573
1-(2-amino-5-bromophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114224634
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63455728
N-[(3-bromophenyl)methyl]-1-(thian-2-yl)methanamine
CID 80594881
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
1-(5-bromo-2-fluorophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114224650

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine (CID 114223764) is N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine is FC1(F)CCCC(CNCc2cccc(Br)c2)C1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine?
The InChIKey is ABBCIMMFCUHWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2N/c15-13-5-1-3-11(7-13)9-18-10-12-4-2-6-14(16,17)8-12/h1,3,5,7,12,18H,2,4,6,8-10H2.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine?
N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine has a molecular weight of 318.20 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine is sourced from PubChem (CID 114223764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).