(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine

C15H20BrF2N — CID 106942605

IUPAC(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine
SMILESCC1(C)CCC(C(N)c2c(F)ccc(Br)c2F)CC1
InChIInChI=1S/C15H20BrF2N/c1-15(2)7-5-9(6-8-15)14(19)12-11(17)4-3-10(16)13(12)18/h3-4,9,14H,5-8,19H2,1-2H3
InChIKeyPFPNNSABMUEBCN-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.94
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine

(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine (PubChem CID 106942605) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine
PubChem CID106942605
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine
SMILESCC1(C)CCC(C(N)c2c(F)ccc(Br)c2F)CC1
InChIInChI=1S/C15H20BrF2N/c1-15(2)7-5-9(6-8-15)14(19)12-11(17)4-3-10(16)13(12)18/h3-4,9,14H,5-8,19H2,1-2H3
InChIKeyPFPNNSABMUEBCN-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-2,6-difluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 106944847
(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
CID 131561213
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 106944937
(3-bromo-2,6-difluorophenyl)-(4-butylcyclohexyl)methanamine
CID 106944640
(3-bromo-2,6-difluorophenyl)-(thiolan-3-yl)methanamine
CID 106944590
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106942637
(R)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 55253707
(S)-cyclopropyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 130707474
2-[(S)-amino(cyclopentyl)methyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253038
(3-bromo-2,6-difluorophenyl)-(thiolan-2-yl)methanamine
CID 106942888
2-[(R)-amino(oxan-4-yl)methyl]-6-bromo-3-fluorophenol;hydrochloride
CID 171256855
1-(3-bromo-2,6-difluorophenyl)-2-cyclopropylethane-1,2-diol
CID 106942151

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine (CID 106942605) is (3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine is CC1(C)CCC(C(N)c2c(F)ccc(Br)c2F)CC1.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine?
The InChIKey is PFPNNSABMUEBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-15(2)7-5-9(6-8-15)14(19)12-11(17)4-3-10(16)13(12)18/h3-4,9,14H,5-8,19H2,1-2H3.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine?
(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine has a molecular weight of 332.23 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 106942605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).