2-(3-bromoanilino)-2-methylnonan-1-ol

C16H26BrNO — CID 55198657

IUPAC2-(3-bromoanilino)-2-methylnonan-1-ol
SMILESCCCCCCCC(C)(CO)Nc1cccc(Br)c1
InChIInChI=1S/C16H26BrNO/c1-3-4-5-6-7-11-16(2,13-19)18-15-10-8-9-14(17)12-15/h8-10,12,18-19H,3-7,11,13H2,1-2H3
InChIKeyFYVLGQYVAOGHFG-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.97
Rot. Bonds9

About 2-(3-bromoanilino)-2-methylnonan-1-ol

2-(3-bromoanilino)-2-methylnonan-1-ol (PubChem CID 55198657) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-methylnonan-1-ol.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-methylnonan-1-ol
PubChem CID55198657
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name2-(3-bromoanilino)-2-methylnonan-1-ol
SMILESCCCCCCCC(C)(CO)Nc1cccc(Br)c1
InChIInChI=1S/C16H26BrNO/c1-3-4-5-6-7-11-16(2,13-19)18-15-10-8-9-14(17)12-15/h8-10,12,18-19H,3-7,11,13H2,1-2H3
InChIKeyFYVLGQYVAOGHFG-UHFFFAOYSA-N
XLogP4.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromoanilino)-2-methylpentan-1-ol
CID 61047859
2-(3-methoxyanilino)-2-methylheptan-1-ol
CID 80558936
2-(3-bromoanilino)-2-methylpropan-1-ol
CID 61048662
3-bromo-N-octylaniline
CID 43129310
N-(4-methyldecan-4-yl)aniline
CID 166741267
2-(3-bromophenyl)nonan-2-ol
CID 65144812
2-anilino-2-methylpentan-1-ol
CID 61046243
2-(2-fluoroanilino)-2-methylnonan-1-ol
CID 55198849
2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile
CID 130509135
6-(3-bromophenyl)sulfanyl-2-methyl-2-(propylamino)hexan-1-ol
CID 64807356
N-(3-bromophenyl)heptanamide
CID 4596383
2-(2-methoxyanilino)-2-methylnonan-1-ol
CID 61050086

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-methylnonan-1-ol?
The IUPAC name of 2-(3-bromoanilino)-2-methylnonan-1-ol (CID 55198657) is 2-(3-bromoanilino)-2-methylnonan-1-ol.
What is the SMILES notation for 2-(3-bromoanilino)-2-methylnonan-1-ol?
The canonical SMILES for 2-(3-bromoanilino)-2-methylnonan-1-ol is CCCCCCCC(C)(CO)Nc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)-2-methylnonan-1-ol?
The InChIKey is FYVLGQYVAOGHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-3-4-5-6-7-11-16(2,13-19)18-15-10-8-9-14(17)12-15/h8-10,12,18-19H,3-7,11,13H2,1-2H3.
What are the key properties of 2-(3-bromoanilino)-2-methylnonan-1-ol?
2-(3-bromoanilino)-2-methylnonan-1-ol has a molecular weight of 328.29 g/mol, XLogP of 4.97, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-methylnonan-1-ol is sourced from PubChem (CID 55198657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).