1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine

C14H21BrClNO — CID 113471311

IUPAC1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine
SMILESCCNC(Cc1ccc(Br)cc1Cl)CC(C)OC
InChIInChI=1S/C14H21BrClNO/c1-4-17-13(7-10(2)18-3)8-11-5-6-12(15)9-14(11)16/h5-6,9-10,13,17H,4,7-8H2,1-3H3
InChIKeyFGZYFPYJPVZIHU-UHFFFAOYSA-N
MW334.69 g/mol
LogP4.05
Rot. Bonds7

About 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine

1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine (PubChem CID 113471311) has the molecular formula C14H21BrClNO and a molecular weight of 334.69 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine
PubChem CID113471311
Molecular FormulaC14H21BrClNO
Molecular Weight334.69 g/mol
Exact Mass333.05
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine
SMILESCCNC(Cc1ccc(Br)cc1Cl)CC(C)OC
InChIInChI=1S/C14H21BrClNO/c1-4-17-13(7-10(2)18-3)8-11-5-6-12(15)9-14(11)16/h5-6,9-10,13,17H,4,7-8H2,1-3H3
InChIKeyFGZYFPYJPVZIHU-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103029350
1-(4-bromo-2-chlorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105181737
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724731
3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 113471085
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 105181697
2-(4-bromo-2-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503761
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine
CID 113391425
4-bromo-2-chloro-1-(2-chloropropyl)benzene
CID 130480423
[1-(4-bromo-2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206418
1-(4-bromo-2-chlorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716006
1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
CID 106868115
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine (CID 113471311) is 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine is CCNC(Cc1ccc(Br)cc1Cl)CC(C)OC.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine?
The InChIKey is FGZYFPYJPVZIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClNO/c1-4-17-13(7-10(2)18-3)8-11-5-6-12(15)9-14(11)16/h5-6,9-10,13,17H,4,7-8H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine?
1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine has a molecular weight of 334.69 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-ethyl-4-methoxypentan-2-amine is sourced from PubChem (CID 113471311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).