N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline

C19H22BrNO — CID 135074114

IUPACN-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline
SMILESCOc1ccc(NC2CCCCC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrNO/c1-22-17-12-10-16(11-13-17)21-19-5-3-2-4-18(19)14-6-8-15(20)9-7-14/h6-13,18-19,21H,2-5H2,1H3
InChIKeyBUSXMPNIXJZIKB-UHFFFAOYSA-N
MW360.30 g/mol
LogP5.60
Rot. Bonds4

About N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline

N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline (PubChem CID 135074114) has the molecular formula C19H22BrNO and a molecular weight of 360.30 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline
PubChem CID135074114
Molecular FormulaC19H22BrNO
Molecular Weight360.30 g/mol
Exact Mass359.09
IUPAC NameN-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline
SMILESCOc1ccc(NC2CCCCC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrNO/c1-22-17-12-10-16(11-13-17)21-19-5-3-2-4-18(19)14-6-8-15(20)9-7-14/h6-13,18-19,21H,2-5H2,1H3
InChIKeyBUSXMPNIXJZIKB-UHFFFAOYSA-N
XLogP5.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.30
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline
CID 135074214
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline
CID 126847817
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
N-[(1R,2S)-2-(furan-2-yl)cyclohexyl]-4-methoxyaniline
CID 46868717
2-(4-bromophenyl)-N-methylcycloheptan-1-amine
CID 82249332
trans-(2R,3S)-2-(4-bromophenyl)-3-(4-methoxyphenyl)cyclohexan-1-one
CID 72713441
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
2-(4-methoxyanilino)cycloheptane-1-carbonitrile
CID 55114320
1-(4-bromophenyl)-3-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347554
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline?
The IUPAC name of N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline (CID 135074114) is N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline.
What is the SMILES notation for N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline?
The canonical SMILES for N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline is COc1ccc(NC2CCCCC2c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline?
The InChIKey is BUSXMPNIXJZIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO/c1-22-17-12-10-16(11-13-17)21-19-5-3-2-4-18(19)14-6-8-15(20)9-7-14/h6-13,18-19,21H,2-5H2,1H3.
What are the key properties of N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline?
N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline has a molecular weight of 360.30 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline is sourced from PubChem (CID 135074114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).