4-bromo-N-cyclohexyl-3-phenylmethoxyaniline

C19H22BrNO — CID 172650668

IUPAC4-bromo-N-cyclohexyl-3-phenylmethoxyaniline
SMILESBrc1ccc(NC2CCCCC2)cc1OCc1ccccc1
InChIInChI=1S/C19H22BrNO/c20-18-12-11-17(21-16-9-5-2-6-10-16)13-19(18)22-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16,21H,2,5-6,9-10,14H2
InChIKeyZAXQMOLCTSXXNV-UHFFFAOYSA-N
MW360.30 g/mol
LogP5.77
Rot. Bonds5

About 4-bromo-N-cyclohexyl-3-phenylmethoxyaniline

4-bromo-N-cyclohexyl-3-phenylmethoxyaniline (PubChem CID 172650668) has the molecular formula C19H22BrNO and a molecular weight of 360.30 g/mol. Its IUPAC name is 4-bromo-N-cyclohexyl-3-phenylmethoxyaniline.

Molecular Properties

Compound Name4-bromo-N-cyclohexyl-3-phenylmethoxyaniline
PubChem CID172650668
Molecular FormulaC19H22BrNO
Molecular Weight360.30 g/mol
Exact Mass359.09
IUPAC Name4-bromo-N-cyclohexyl-3-phenylmethoxyaniline
SMILESBrc1ccc(NC2CCCCC2)cc1OCc1ccccc1
InChIInChI=1S/C19H22BrNO/c20-18-12-11-17(21-16-9-5-2-6-10-16)13-19(18)22-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16,21H,2,5-6,9-10,14H2
InChIKeyZAXQMOLCTSXXNV-UHFFFAOYSA-N
XLogP5.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.30
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methoxyphenyl)cycloheptanamine
CID 82858294
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17158503
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cycloheptanamine
CID 4720524
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 66532208
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331537
1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine
CID 154205278
3-bromo-N-cyclopentyl-4-methoxyaniline
CID 63999867
N-(1-bicyclo[1.1.1]pentanyl)-4-bromo-3-phenylmethoxybenzamide
CID 166001387
4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 146673288
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
2-[3,5-dibromo-4-[[3-(cyclobutylamino)phenyl]methoxy]phenyl]acetic acid
CID 69244093

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclohexyl-3-phenylmethoxyaniline?
The IUPAC name of 4-bromo-N-cyclohexyl-3-phenylmethoxyaniline (CID 172650668) is 4-bromo-N-cyclohexyl-3-phenylmethoxyaniline.
What is the SMILES notation for 4-bromo-N-cyclohexyl-3-phenylmethoxyaniline?
The canonical SMILES for 4-bromo-N-cyclohexyl-3-phenylmethoxyaniline is Brc1ccc(NC2CCCCC2)cc1OCc1ccccc1.
What is the InChIKey of 4-bromo-N-cyclohexyl-3-phenylmethoxyaniline?
The InChIKey is ZAXQMOLCTSXXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO/c20-18-12-11-17(21-16-9-5-2-6-10-16)13-19(18)22-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16,21H,2,5-6,9-10,14H2.
What are the key properties of 4-bromo-N-cyclohexyl-3-phenylmethoxyaniline?
4-bromo-N-cyclohexyl-3-phenylmethoxyaniline has a molecular weight of 360.30 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclohexyl-3-phenylmethoxyaniline is sourced from PubChem (CID 172650668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).