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

C14H19BrFN — CID 62595059

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H19BrFN/c1-10-4-6-14(17,7-5-10)9-11-8-12(15)2-3-13(11)16/h2-3,8,10H,4-7,9,17H2,1H3
InChIKeyVNVONGRNNQDWBL-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.04
Rot. Bonds2

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

1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 62595059) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
PubChem CID62595059
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H19BrFN/c1-10-4-6-14(17,7-5-10)9-11-8-12(15)2-3-13(11)16/h2-3,8,10H,4-7,9,17H2,1H3
InChIKeyVNVONGRNNQDWBL-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513632
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60799051
1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452352
1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115701
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65400296
1-[(2-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64513406
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64514094
1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154192
4-bromo-2-[[1-(1-bromoethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 106798566
1-[(5-bromo-2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-ol
CID 65154386

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine (CID 62595059) is 1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(N)(Cc2cc(Br)ccc2F)CC1.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is VNVONGRNNQDWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-10-4-6-14(17,7-5-10)9-11-8-12(15)2-3-13(11)16/h2-3,8,10H,4-7,9,17H2,1H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine?
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 300.21 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62595059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).