1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine

C17H20BrNO — CID 61058373

IUPAC1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
SMILESCC(C)Oc1ccccc1CNCc1cccc(Br)c1
InChIInChI=1S/C17H20BrNO/c1-13(2)20-17-9-4-3-7-15(17)12-19-11-14-6-5-8-16(18)10-14/h3-10,13,19H,11-12H2,1-2H3
InChIKeyXXBFBXQECRFWAF-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.53
Rot. Bonds6

About 1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine

1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine (PubChem CID 61058373) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
PubChem CID61058373
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
SMILESCC(C)Oc1ccccc1CNCc1cccc(Br)c1
InChIInChI=1S/C17H20BrNO/c1-13(2)20-17-9-4-3-7-15(17)12-19-11-14-6-5-8-16(18)10-14/h3-10,13,19H,11-12H2,1-2H3
InChIKeyXXBFBXQECRFWAF-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(3-bromophenyl)methanamine
CID 61401345
1-(3-bromophenyl)-N-[[2-(ethoxymethyl)phenyl]methyl]methanamine
CID 60752045
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-bromophenyl)methanamine
CID 61400743
3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43220682
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
4-bromo-2-chloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43774893
N-[(3-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65024298
1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 39358305
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 66533939
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
CID 114615444

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine (CID 61058373) is 1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine is CC(C)Oc1ccccc1CNCc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine?
The InChIKey is XXBFBXQECRFWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-13(2)20-17-9-4-3-7-15(17)12-19-11-14-6-5-8-16(18)10-14/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine?
1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine has a molecular weight of 334.26 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine is sourced from PubChem (CID 61058373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).