N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine

C24H29BrN2O — CID 140977221

IUPACN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine
SMILESCCCN1C=CC=CC1N(CC)Cc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C24H29BrN2O/c1-3-15-27-16-9-8-12-24(27)26(4-2)18-21-17-22(25)13-14-23(21)28-19-20-10-6-5-7-11-20/h5-14,16-17,24H,3-4,15,18-19H2,1-2H3
InChIKeyGQFJRIFKSLUZMS-UHFFFAOYSA-N
MW441.41 g/mol
LogP5.97
Rot. Bonds9

About N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine

N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine (PubChem CID 140977221) has the molecular formula C24H29BrN2O and a molecular weight of 441.41 g/mol. Its IUPAC name is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine
PubChem CID140977221
Molecular FormulaC24H29BrN2O
Molecular Weight441.41 g/mol
Exact Mass440.15
IUPAC NameN-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine
SMILESCCCN1C=CC=CC1N(CC)Cc1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C24H29BrN2O/c1-3-15-27-16-9-8-12-24(27)26(4-2)18-21-17-22(25)13-14-23(21)28-19-20-10-6-5-7-11-20/h5-14,16-17,24H,3-4,15,18-19H2,1-2H3
InChIKeyGQFJRIFKSLUZMS-UHFFFAOYSA-N
XLogP5.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2H-pyridine-5-carboxylic acid
CID 70292670
2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile
CID 22675467
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]hexan-1-amine
CID 4716809
4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
CID 102939906
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
4-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-ethoxybenzoic acid
CID 22105519
6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carbonitrile
CID 22105645
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 140977223
methyl 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carboxylate
CID 22622546
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine?
The IUPAC name of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine (CID 140977221) is N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine.
What is the SMILES notation for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine?
The canonical SMILES for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine is CCCN1C=CC=CC1N(CC)Cc1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine?
The InChIKey is GQFJRIFKSLUZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O/c1-3-15-27-16-9-8-12-24(27)26(4-2)18-21-17-22(25)13-14-23(21)28-19-20-10-6-5-7-11-20/h5-14,16-17,24H,3-4,15,18-19H2,1-2H3.
What are the key properties of N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine?
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine has a molecular weight of 441.41 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-ethyl-1-propyl-2H-pyridin-2-amine is sourced from PubChem (CID 140977221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).