5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine

C14H22BrNO — CID 64504008

IUPAC5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCc1ccc(OC)c(Br)c1
InChIInChI=1S/C14H22BrNO/c1-4-16-11(2)6-5-7-12-8-9-14(17-3)13(15)10-12/h8-11,16H,4-7H2,1-3H3
InChIKeyBTCUPXWDRVIXAK-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.78
Rot. Bonds7

About 5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine

5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine (PubChem CID 64504008) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine
PubChem CID64504008
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCc1ccc(OC)c(Br)c1
InChIInChI=1S/C14H22BrNO/c1-4-16-11(2)6-5-7-12-8-9-14(17-3)13(15)10-12/h8-11,16H,4-7H2,1-3H3
InChIKeyBTCUPXWDRVIXAK-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine
CID 54971213
N-[(3-bromo-4-methoxyphenyl)methyl]octan-2-amine
CID 43220775
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
N-ethyl-5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64504941
4-(3-bromo-4-methoxyphenyl)butan-1-ol
CID 64516496
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
1-(3-bromo-4-methoxyphenyl)heptane-3,4-diol
CID 83926163
(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 781010
1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 115817955
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43221071
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine?
The IUPAC name of 5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine (CID 64504008) is 5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine.
What is the SMILES notation for 5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine?
The canonical SMILES for 5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine is CCNC(C)CCCc1ccc(OC)c(Br)c1.
What is the InChIKey of 5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine?
The InChIKey is BTCUPXWDRVIXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-16-11(2)6-5-7-12-8-9-14(17-3)13(15)10-12/h8-11,16H,4-7H2,1-3H3.
What are the key properties of 5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine?
5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 64504008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).