2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine

C18H21BrN2 — CID 63404278

IUPAC2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESCC1Cc2ccccc2N(C(CN)c2ccccc2Br)C1
InChIInChI=1S/C18H21BrN2/c1-13-10-14-6-2-5-9-17(14)21(12-13)18(11-20)15-7-3-4-8-16(15)19/h2-9,13,18H,10-12,20H2,1H3
InChIKeyTZGNFGRWZOTMHB-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.15
Rot. Bonds3

About 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine

2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine (PubChem CID 63404278) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
PubChem CID63404278
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
SMILESCC1Cc2ccccc2N(C(CN)c2ccccc2Br)C1
InChIInChI=1S/C18H21BrN2/c1-13-10-14-6-2-5-9-17(14)21(12-13)18(11-20)15-7-3-4-8-16(15)19/h2-9,13,18H,10-12,20H2,1H3
InChIKeyTZGNFGRWZOTMHB-UHFFFAOYSA-N
XLogP4.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-thiophen-3-ylethanamine
CID 63404092
2-(5-ethylfuran-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 63466875
2-(5-ethylthiophen-2-yl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 63467051
3,3,3-trifluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine
CID 63403968
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-amine
CID 63466877
4-amino-N-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 66426715
1-amino-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-ol
CID 64818927
(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63533302
4-amino-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-propylbutanamide
CID 66426549
N-tert-butyl-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-amine
CID 83039796
2-(3-bromophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 43184711
2-ethyl-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-amine
CID 81080032

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine (CID 63404278) is 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine is CC1Cc2ccccc2N(C(CN)c2ccccc2Br)C1.
What is the InChIKey of 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
The InChIKey is TZGNFGRWZOTMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-13-10-14-6-2-5-9-17(14)21(12-13)18(11-20)15-7-3-4-8-16(15)19/h2-9,13,18H,10-12,20H2,1H3.
What are the key properties of 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine?
2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine has a molecular weight of 345.28 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine is sourced from PubChem (CID 63404278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).