1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine

C18H22BrNO — CID 115958219

IUPAC1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(C)c1OCc1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-3-17(20)11-15-8-4-6-13(2)18(15)21-12-14-7-5-9-16(19)10-14/h4-10,17H,3,11-12,20H2,1-2H3
InChIKeyYYVCNMVAXPAMGU-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.62
Rot. Bonds6

About 1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine

1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine (PubChem CID 115958219) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
PubChem CID115958219
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(C)c1OCc1cccc(Br)c1
InChIInChI=1S/C18H22BrNO/c1-3-17(20)11-15-8-4-6-13(2)18(15)21-12-14-7-5-9-16(19)10-14/h4-10,17H,3,11-12,20H2,1-2H3
InChIKeyYYVCNMVAXPAMGU-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-methylphenyl]butan-2-amine
CID 104808041
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
CID 112615535
1-(3-bromophenyl)butan-2-amine;hydrochloride
CID 170888459
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958087
1-[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 115958215
1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958268
1-[2-[3-(dimethylamino)propoxy]-3-methylphenyl]butan-2-amine
CID 114526345
1-(2-but-3-enoxy-3-methylphenyl)butan-2-amine
CID 112615496
1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine
CID 115958169
1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 112615348
4-[[2-(2-aminobutyl)-6-chlorophenoxy]methyl]phenol
CID 115958442

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine?
The IUPAC name of 1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine (CID 115958219) is 1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine is CCC(N)Cc1cccc(C)c1OCc1cccc(Br)c1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine?
The InChIKey is YYVCNMVAXPAMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-17(20)11-15-8-4-6-13(2)18(15)21-12-14-7-5-9-16(19)10-14/h4-10,17H,3,11-12,20H2,1-2H3.
What are the key properties of 1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine?
1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine has a molecular weight of 348.28 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine is sourced from PubChem (CID 115958219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).