5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline

C17H17BrClNO — CID 63454650

IUPAC5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H17BrClNO/c1-21-16-9-6-13(18)10-15(16)20-17(11-2-3-11)12-4-7-14(19)8-5-12/h4-11,17,20H,2-3H2,1H3
InChIKeyFFVNJWGPWMTWCX-UHFFFAOYSA-N
MW366.69 g/mol
LogP5.67
Rot. Bonds5

About 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline

5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline (PubChem CID 63454650) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline
PubChem CID63454650
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H17BrClNO/c1-21-16-9-6-13(18)10-15(16)20-17(11-2-3-11)12-4-7-14(19)8-5-12/h4-11,17,20H,2-3H2,1H3
InChIKeyFFVNJWGPWMTWCX-UHFFFAOYSA-N
XLogP5.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.69
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
CID 43777577
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951
2-bromo-5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 81267879
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methoxy-2-methylaniline
CID 63477376
2,4-dibromo-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 43780879
5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline
CID 43755230
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoroaniline
CID 43759747
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
CID 43764005
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methoxyaniline
CID 43757802
4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 55197692
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline
CID 43765901

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline?
The IUPAC name of 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline (CID 63454650) is 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline.
What is the SMILES notation for 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline?
The canonical SMILES for 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline is COc1ccc(Br)cc1NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline?
The InChIKey is FFVNJWGPWMTWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-21-16-9-6-13(18)10-15(16)20-17(11-2-3-11)12-4-7-14(19)8-5-12/h4-11,17,20H,2-3H2,1H3.
What are the key properties of 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline?
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline has a molecular weight of 366.69 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline is sourced from PubChem (CID 63454650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).