1-(3-bromo-2,6-difluorophenyl)decan-2-amine

C16H24BrF2N — CID 106274012

IUPAC1-(3-bromo-2,6-difluorophenyl)decan-2-amine
SMILESCCCCCCCCC(N)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C16H24BrF2N/c1-2-3-4-5-6-7-8-12(20)11-13-15(18)10-9-14(17)16(13)19/h9-10,12H,2-8,11,20H2,1H3
InChIKeyPQWQCZSGFVHCFC-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.35
Rot. Bonds9

About 1-(3-bromo-2,6-difluorophenyl)decan-2-amine

1-(3-bromo-2,6-difluorophenyl)decan-2-amine (PubChem CID 106274012) has the molecular formula C16H24BrF2N and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)decan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)decan-2-amine
PubChem CID106274012
Molecular FormulaC16H24BrF2N
Molecular Weight348.28 g/mol
Exact Mass347.11
IUPAC Name1-(3-bromo-2,6-difluorophenyl)decan-2-amine
SMILESCCCCCCCCC(N)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C16H24BrF2N/c1-2-3-4-5-6-7-8-12(20)11-13-15(18)10-9-14(17)16(13)19/h9-10,12H,2-8,11,20H2,1H3
InChIKeyPQWQCZSGFVHCFC-UHFFFAOYSA-N
XLogP5.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)octan-2-amine
CID 106274291
1-(3-bromo-2,6-difluorophenyl)-4-propoxybutan-2-amine
CID 106274256
1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine
CID 106268059
1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
CID 114166237
1-(3-bromo-2,6-difluorophenyl)-4-phenylbutan-2-amine
CID 106267021
1-(3-bromo-2,6-difluorophenyl)-3-methoxyhexan-2-amine
CID 106268510
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
1-(3-bromo-2,6-difluorophenyl)decan-1-ol
CID 106945067
1-(3-bromo-2,6-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 106267503
N-[(3-bromo-2,6-difluorophenyl)methyl]hexan-1-amine
CID 106263475
1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
CID 103947002
4-(3-bromo-2,6-difluorophenyl)butan-2-amine
CID 106943489

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)decan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)decan-2-amine (CID 106274012) is 1-(3-bromo-2,6-difluorophenyl)decan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)decan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)decan-2-amine is CCCCCCCCC(N)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)decan-2-amine?
The InChIKey is PQWQCZSGFVHCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrF2N/c1-2-3-4-5-6-7-8-12(20)11-13-15(18)10-9-14(17)16(13)19/h9-10,12H,2-8,11,20H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)decan-2-amine?
1-(3-bromo-2,6-difluorophenyl)decan-2-amine has a molecular weight of 348.28 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)decan-2-amine is sourced from PubChem (CID 106274012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).