N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine

C12H16BrClN2O — CID 79724544

IUPACN-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine
SMILESCCOc1c(Br)cc(Cl)cc1NC1CCNC1
InChIInChI=1S/C12H16BrClN2O/c1-2-17-12-10(13)5-8(14)6-11(12)16-9-3-4-15-7-9/h5-6,9,15-16H,2-4,7H2,1H3
InChIKeyMVHVCEMWOACRCB-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.28
Rot. Bonds4

About N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine

N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine (PubChem CID 79724544) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine
PubChem CID79724544
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC NameN-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine
SMILESCCOc1c(Br)cc(Cl)cc1NC1CCNC1
InChIInChI=1S/C12H16BrClN2O/c1-2-17-12-10(13)5-8(14)6-11(12)16-9-3-4-15-7-9/h5-6,9,15-16H,2-4,7H2,1H3
InChIKeyMVHVCEMWOACRCB-UHFFFAOYSA-N
XLogP3.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-oxothian-4-amine
CID 54982002
1-[4-(3-bromo-5-chloro-2-ethoxyanilino)piperidin-1-yl]ethanone
CID 43782635
3-bromo-5-chloro-2-ethoxy-N-(3-methoxycyclohexyl)aniline
CID 106871709
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43690803
3-bromo-5-chloro-N-(cyclopropylmethyl)-2-ethoxyaniline
CID 43690788
N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine
CID 81264104
N-(3-bromo-5-chloro-2-ethoxyphenyl)-5,5-dimethylthian-3-amine
CID 79955714
3-bromo-5-chloro-N-(1-cyclohexylethyl)-2-ethoxyaniline
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CID 43689268

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine (CID 79724544) is N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine is CCOc1c(Br)cc(Cl)cc1NC1CCNC1.
What is the InChIKey of N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine?
The InChIKey is MVHVCEMWOACRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-2-17-12-10(13)5-8(14)6-11(12)16-9-3-4-15-7-9/h5-6,9,15-16H,2-4,7H2,1H3.
What are the key properties of N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine?
N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine has a molecular weight of 319.63 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-ethoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 79724544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).