1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine

C18H22BrNO — CID 43696003

IUPAC1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine
SMILESCOc1ccc(C)cc1CNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H22BrNO/c1-13-4-9-18(21-3)16(10-13)12-20-14(2)11-15-5-7-17(19)8-6-15/h4-10,14,20H,11-12H2,1-3H3
InChIKeySJLJIAYHHVVGIX-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.49
Rot. Bonds6

About 1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine

1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine (PubChem CID 43696003) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine
PubChem CID43696003
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine
SMILESCOc1ccc(C)cc1CNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H22BrNO/c1-13-4-9-18(21-3)16(10-13)12-20-14(2)11-15-5-7-17(19)8-6-15/h4-10,14,20H,11-12H2,1-3H3
InChIKeySJLJIAYHHVVGIX-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371768
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252
N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432805
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
2-[(5-bromo-2-methoxyphenyl)methylamino]propan-1-ol
CID 43499460
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349676
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60945297
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine
CID 43087547
2-N-[(5-bromo-2-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944908
(1S)-1-(2-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 81383795
2-methoxy-5-[2-[(4-methylphenyl)methylamino]propyl]aniline
CID 82257453

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine (CID 43696003) is 1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine is COc1ccc(C)cc1CNC(C)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine?
The InChIKey is SJLJIAYHHVVGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-13-4-9-18(21-3)16(10-13)12-20-14(2)11-15-5-7-17(19)8-6-15/h4-10,14,20H,11-12H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine?
1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine has a molecular weight of 348.28 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43696003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).