(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine

C17H20BrNO — CID 105187905

IUPAC(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cc(OC)ccc2Br)c1
InChIInChI=1S/C17H20BrNO/c1-3-5-12-6-4-7-13(10-12)17(19)15-11-14(20-2)8-9-16(15)18/h4,6-11,17H,3,5,19H2,1-2H3
InChIKeyHVRMPCFDYQSREL-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.46
Rot. Bonds5

About (2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine

(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine (PubChem CID 105187905) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
PubChem CID105187905
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(N)c2cc(OC)ccc2Br)c1
InChIInChI=1S/C17H20BrNO/c1-3-5-12-6-4-7-13(10-12)17(19)15-11-14(20-2)8-9-16(15)18/h4,6-11,17H,3,5,19H2,1-2H3
InChIKeyHVRMPCFDYQSREL-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
(2-methoxyphenyl)-(3-propylphenyl)methanamine
CID 116543821
[(2-bromo-5-methoxyphenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105326340
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine
CID 105018919
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanamine
CID 114906021
(4-bromo-2-chlorophenyl)-(3-propylphenyl)methanamine
CID 105050353
(2-bromo-5-methoxyphenyl)-naphthalen-1-ylmethanamine
CID 105141322
1-methoxy-3-propylbenzene
CID 14270128
[2-bromo-5-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanamine
CID 45282000
(3,5-dibromo-2-pyridinyl)-(3-propylphenyl)methanamine
CID 116545102
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine (CID 105187905) is (2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine is CCCc1cccc(C(N)c2cc(OC)ccc2Br)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine?
The InChIKey is HVRMPCFDYQSREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-5-12-6-4-7-13(10-12)17(19)15-11-14(20-2)8-9-16(15)18/h4,6-11,17H,3,5,19H2,1-2H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine?
(2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine has a molecular weight of 334.26 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(3-propylphenyl)methanamine is sourced from PubChem (CID 105187905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).