1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine

C18H17BrN2 — CID 104997403

IUPAC1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
SMILESCc1c(Br)cccc1C(N)Cc1ccnc2ccccc12
InChIInChI=1S/C18H17BrN2/c1-12-14(6-4-7-16(12)19)17(20)11-13-9-10-21-18-8-3-2-5-15(13)18/h2-10,17H,11,20H2,1H3
InChIKeyIPXJDCKRTBCXRF-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.55
Rot. Bonds3

About 1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine

1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine (PubChem CID 104997403) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
PubChem CID104997403
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
SMILESCc1c(Br)cccc1C(N)Cc1ccnc2ccccc12
InChIInChI=1S/C18H17BrN2/c1-12-14(6-4-7-16(12)19)17(20)11-13-9-10-21-18-8-3-2-5-15(13)18/h2-10,17H,11,20H2,1H3
InChIKeyIPXJDCKRTBCXRF-UHFFFAOYSA-N
XLogP4.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997439
1-(4-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine
CID 104997339
1-(2-iodophenyl)-2-quinolin-4-ylethanamine
CID 104997408
1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine
CID 104997384
1-(3-bromothiophen-2-yl)-2-quinolin-4-ylethanamine
CID 104997455
2-(2-bromo-4-fluorophenyl)-1-quinolin-4-ylethanamine
CID 105136391
1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine
CID 105065744
2-(2-bromophenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105087456
2-(4-bromophenyl)-1-quinolin-4-ylethanamine
CID 105089328
2-(5-bromothiophen-2-yl)-1-quinolin-4-ylethanamine
CID 105134776
(1S)-1-(2-bromophenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 81378788
1-(2,5-dimethylpyrazol-3-yl)-2-quinolin-4-ylethanamine
CID 105159324

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine (CID 104997403) is 1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine is Cc1c(Br)cccc1C(N)Cc1ccnc2ccccc12.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine?
The InChIKey is IPXJDCKRTBCXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-12-14(6-4-7-16(12)19)17(20)11-13-9-10-21-18-8-3-2-5-15(13)18/h2-10,17H,11,20H2,1H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine?
1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine has a molecular weight of 341.25 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-2-quinolin-4-ylethanamine is sourced from PubChem (CID 104997403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).