N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine

C14H19BrF2N2 — CID 106263639

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NCc2c(F)ccc(Br)c2F)CCN1C
InChIInChI=1S/C14H19BrF2N2/c1-9-7-10(5-6-19(9)2)18-8-11-13(16)4-3-12(15)14(11)17/h3-4,9-10,18H,5-8H2,1-2H3
InChIKeyMRWRXZPOENFLCY-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.30
Rot. Bonds3

About N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine

N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 106263639) has the molecular formula C14H19BrF2N2 and a molecular weight of 333.22 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine
PubChem CID106263639
Molecular FormulaC14H19BrF2N2
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine
SMILESCC1CC(NCc2c(F)ccc(Br)c2F)CCN1C
InChIInChI=1S/C14H19BrF2N2/c1-9-7-10(5-6-19(9)2)18-8-11-13(16)4-3-12(15)14(11)17/h3-4,9-10,18H,5-8H2,1-2H3
InChIKeyMRWRXZPOENFLCY-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 79032191
4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 79032255
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 106263727
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 79032189
3-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117316
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 79032302
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 103697791
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 106263890
2-bromo-4-[(1,2-dimethylpiperidin-4-yl)amino]-3-fluorobenzoic acid
CID 107540427
5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115654984
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81300764

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine (CID 106263639) is N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine is CC1CC(NCc2c(F)ccc(Br)c2F)CCN1C.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is MRWRXZPOENFLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2N2/c1-9-7-10(5-6-19(9)2)18-8-11-13(16)4-3-12(15)14(11)17/h3-4,9-10,18H,5-8H2,1-2H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine?
N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 333.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 106263639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).