3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline

C12H15BrClNO — CID 43690788

IUPAC3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
SMILESCCOc1c(Br)cc(Cl)cc1NCC1CC1
InChIInChI=1S/C12H15BrClNO/c1-2-16-12-10(13)5-9(14)6-11(12)15-7-8-3-4-8/h5-6,8,15H,2-4,7H2,1H3
InChIKeyFPBCAMPMJPYBBX-UHFFFAOYSA-N
MW304.62 g/mol
LogP4.32
Rot. Bonds5

About 3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline

3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline (PubChem CID 43690788) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
PubChem CID43690788
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
SMILESCCOc1c(Br)cc(Cl)cc1NCC1CC1
InChIInChI=1S/C12H15BrClNO/c1-2-16-12-10(13)5-9(14)6-11(12)15-7-8-3-4-8/h5-6,8,15H,2-4,7H2,1H3
InChIKeyFPBCAMPMJPYBBX-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-bromo-5-chloro-2-ethoxyphenyl)cycloheptanamine
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3-bromo-5-chloro-2-methoxy-N-(oxan-4-ylmethyl)aniline
CID 62385204
N-benzyl-3-bromo-5-chloro-2-ethoxyaniline
CID 43690745
3-bromo-5-chloro-N-[(3,5-difluorophenyl)methyl]-2-ethoxyaniline
CID 106528343
N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine
CID 79724544
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-oxothian-4-amine
CID 54982002
3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline
CID 43782643
3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline
CID 43690723
2-[(3-bromo-5-chloro-2-ethoxyanilino)methyl]-2-ethylbutan-1-ol
CID 81412513
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CID 43690803

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline?
The IUPAC name of 3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline (CID 43690788) is 3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline.
What is the SMILES notation for 3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline?
The canonical SMILES for 3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline is CCOc1c(Br)cc(Cl)cc1NCC1CC1.
What is the InChIKey of 3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline?
The InChIKey is FPBCAMPMJPYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-2-16-12-10(13)5-9(14)6-11(12)15-7-8-3-4-8/h5-6,8,15H,2-4,7H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline?
3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline has a molecular weight of 304.62 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline is sourced from PubChem (CID 43690788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).