3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine

C19H24BrNO — CID 170866451

IUPAC3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCc1ccccc1COc1ccc(Br)cc1CCCN(C)C
InChIInChI=1S/C19H24BrNO/c1-15-7-4-5-8-17(15)14-22-19-11-10-18(20)13-16(19)9-6-12-21(2)3/h4-5,7-8,10-11,13H,6,9,12,14H2,1-3H3
InChIKeyCLIJJYWCRMCMQB-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.83
Rot. Bonds7

About 3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine

3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866451) has the molecular formula C19H24BrNO and a molecular weight of 362.31 g/mol. Its IUPAC name is 3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866451
Molecular FormulaC19H24BrNO
Molecular Weight362.31 g/mol
Exact Mass361.10
IUPAC Name3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCc1ccccc1COc1ccc(Br)cc1CCCN(C)C
InChIInChI=1S/C19H24BrNO/c1-15-7-4-5-8-17(15)14-22-19-11-10-18(20)13-16(19)9-6-12-21(2)3/h4-5,7-8,10-11,13H,6,9,12,14H2,1-3H3
InChIKeyCLIJJYWCRMCMQB-UHFFFAOYSA-N
XLogP4.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866319
3-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866403
3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866339
3-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866336
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 43277669
5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 2063319
(2S)-N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993745
3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine
CID 163375747
N,N-dimethyl-12-(2-methylphenyl)dodecan-1-amine;hydrate
CID 173447859
3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170866064
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651125

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine (CID 170866451) is 3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine is Cc1ccccc1COc1ccc(Br)cc1CCCN(C)C.
What is the InChIKey of 3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is CLIJJYWCRMCMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO/c1-15-7-4-5-8-17(15)14-22-19-11-10-18(20)13-16(19)9-6-12-21(2)3/h4-5,7-8,10-11,13H,6,9,12,14H2,1-3H3.
What are the key properties of 3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine?
3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 362.31 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).