1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine

C16H23BrFN — CID 63407677

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2cc(F)ccc2Br)CC1
InChIInChI=1S/C16H23BrFN/c1-2-3-12-6-8-16(19,9-7-12)11-13-10-14(18)4-5-15(13)17/h4-5,10,12H,2-3,6-9,11,19H2,1H3
InChIKeyOIFJWQGMNOMHPH-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.82
Rot. Bonds4

About 1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine

1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 63407677) has the molecular formula C16H23BrFN and a molecular weight of 328.27 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
PubChem CID63407677
Molecular FormulaC16H23BrFN
Molecular Weight328.27 g/mol
Exact Mass327.10
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2cc(F)ccc2Br)CC1
InChIInChI=1S/C16H23BrFN/c1-2-3-12-6-8-16(19,9-7-12)11-13-10-14(18)4-5-15(13)17/h4-5,10,12H,2-3,6-9,11,19H2,1H3
InChIKeyOIFJWQGMNOMHPH-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105373056
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcycloheptan-1-amine
CID 105373119
[1-[(2-bromo-5-fluorophenyl)methyl]-4-butylcyclohexyl]methanamine
CID 63520722
1-[(2-bromo-5-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961178
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406
1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086943
N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63452721
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 55186945
1-[(2-bromo-4-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407519
1-[(2-bromo-4-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424452
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086350
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62621612

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine (CID 63407677) is 1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)(Cc2cc(F)ccc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is OIFJWQGMNOMHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFN/c1-2-3-12-6-8-16(19,9-7-12)11-13-10-14(18)4-5-15(13)17/h4-5,10,12H,2-3,6-9,11,19H2,1H3.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine?
1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 328.27 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63407677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).