(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine

C18H22BrNO — CID 115482034

IUPAC(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2ccc(OC)c(Br)c2)cc1CC
InChIInChI=1S/C18H22BrNO/c1-4-12-6-7-14(10-13(12)5-2)18(20)15-8-9-17(21-3)16(19)11-15/h6-11,18H,4-5,20H2,1-3H3
InChIKeyVFIKPCOMHPXUJJ-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.63
Rot. Bonds5

About (3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine

(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine (PubChem CID 115482034) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine
PubChem CID115482034
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2ccc(OC)c(Br)c2)cc1CC
InChIInChI=1S/C18H22BrNO/c1-4-12-6-7-14(10-13(12)5-2)18(20)15-8-9-17(21-3)16(19)11-15/h6-11,18H,4-5,20H2,1-3H3
InChIKeyVFIKPCOMHPXUJJ-UHFFFAOYSA-N
XLogP4.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-diethylphenyl)-(4-methoxyphenyl)methanamine
CID 115481951
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 63194534
(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
CID 43131111
(R)-(3-bromo-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171248315
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
(3-bromo-4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050773
(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
CID 95466503
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474
1-(3-bromo-4-methoxyphenyl)but-3-yn-1-amine
CID 114977597

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine (CID 115482034) is (3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine is CCc1ccc(C(N)c2ccc(OC)c(Br)c2)cc1CC.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine?
The InChIKey is VFIKPCOMHPXUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-12-6-7-14(10-13(12)5-2)18(20)15-8-9-17(21-3)16(19)11-15/h6-11,18H,4-5,20H2,1-3H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine?
(3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine has a molecular weight of 348.28 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(3,4-diethylphenyl)methanamine is sourced from PubChem (CID 115482034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).