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

C15H24BrNO — CID 43734064

IUPACN-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine
SMILESCOc1ccc(C(C)NC(C)CC(C)C)cc1Br
InChIInChI=1S/C15H24BrNO/c1-10(2)8-11(3)17-12(4)13-6-7-15(18-5)14(16)9-13/h6-7,9-12,17H,8H2,1-5H3
InChIKeyLBPKOUZCRLXDLQ-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.54
Rot. Bonds6

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

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine (PubChem CID 43734064) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine
PubChem CID43734064
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine
SMILESCOc1ccc(C(C)NC(C)CC(C)C)cc1Br
InChIInChI=1S/C15H24BrNO/c1-10(2)8-11(3)17-12(4)13-6-7-15(18-5)14(16)9-13/h6-7,9-12,17H,8H2,1-5H3
InChIKeyLBPKOUZCRLXDLQ-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43734033
N-[1-(3-bromo-4-methoxyphenyl)ethyl]pentan-2-amine
CID 43734058
2-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 43792404
N-[1-(3-bromo-4-methoxyphenyl)ethyl]pent-4-yn-2-amine
CID 115725202
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
N-[1-(3-bromo-4-methoxyphenyl)ethyl]but-3-yn-2-amine
CID 114415474
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
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
(2S)-2-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 61178461

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine (CID 43734064) is N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine is COc1ccc(C(C)NC(C)CC(C)C)cc1Br.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine?
The InChIKey is LBPKOUZCRLXDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-10(2)8-11(3)17-12(4)13-6-7-15(18-5)14(16)9-13/h6-7,9-12,17H,8H2,1-5H3.
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine?
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 4.54, 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]-4-methylpentan-2-amine is sourced from PubChem (CID 43734064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).