N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine

C18H27BrFN — CID 63415854

IUPACN-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1F)C1CCCC(C)C1
InChIInChI=1S/C18H27BrFN/c1-3-9-21-18(15-6-4-5-13(2)10-15)11-14-7-8-16(19)12-17(14)20/h7-8,12-13,15,18,21H,3-6,9-11H2,1-2H3
InChIKeyKTZIOZOXWBVOIU-UHFFFAOYSA-N
MW356.32 g/mol
LogP5.33
Rot. Bonds6

About N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine

N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine (PubChem CID 63415854) has the molecular formula C18H27BrFN and a molecular weight of 356.32 g/mol. Its IUPAC name is N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
PubChem CID63415854
Molecular FormulaC18H27BrFN
Molecular Weight356.32 g/mol
Exact Mass355.13
IUPAC NameN-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1F)C1CCCC(C)C1
InChIInChI=1S/C18H27BrFN/c1-3-9-21-18(15-6-4-5-13(2)10-15)11-14-7-8-16(19)12-17(14)20/h7-8,12-13,15,18,21H,3-6,9-11H2,1-2H3
InChIKeyKTZIOZOXWBVOIU-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.32
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,4-difluorophenyl)-1-(3-methylcyclopentyl)ethyl]propan-1-amine
CID 65414201
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659
N-[2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114855459
N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61063838
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992020
1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
CID 62601740
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
N-[2-(furan-2-yl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
CID 83175112
[2-(5-bromo-2-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233180
4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene
CID 63458710
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
2-(4-bromo-2-fluorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105137148

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine (CID 63415854) is N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1F)C1CCCC(C)C1.
What is the InChIKey of N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine?
The InChIKey is KTZIOZOXWBVOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrFN/c1-3-9-21-18(15-6-4-5-13(2)10-15)11-14-7-8-16(19)12-17(14)20/h7-8,12-13,15,18,21H,3-6,9-11H2,1-2H3.
What are the key properties of N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine?
N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine has a molecular weight of 356.32 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine is sourced from PubChem (CID 63415854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).