N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine

C14H22BrNO — CID 43734058

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H22BrNO/c1-5-6-10(2)16-11(3)12-7-8-14(17-4)13(15)9-12/h7-11,16H,5-6H2,1-4H3
InChIKeyBKUOHTAAAQSUTI-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.30
Rot. Bonds6

About N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine

N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine (PubChem CID 43734058) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine
PubChem CID43734058
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H22BrNO/c1-5-6-10(2)16-11(3)12-7-8-14(17-4)13(15)9-12/h7-11,16H,5-6H2,1-4H3
InChIKeyBKUOHTAAAQSUTI-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 43734064
N-[1-(3-bromo-4-methoxyphenyl)ethyl]pent-4-yn-2-amine
CID 115725202
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43734033
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
N-[1-(3,4,5-trimethoxyphenyl)ethyl]pentan-2-amine
CID 43173534
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 104827887
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350501
N-[1-(3-bromo-4-methoxyphenyl)ethyl]but-3-yn-2-amine
CID 114415474
(1R)-1-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 93189097
2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentanamide
CID 43713410
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine (CID 43734058) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine is CCCC(C)NC(C)c1ccc(OC)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine?
The InChIKey is BKUOHTAAAQSUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-5-6-10(2)16-11(3)12-7-8-14(17-4)13(15)9-12/h7-11,16H,5-6H2,1-4H3.
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine is sourced from PubChem (CID 43734058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).