N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine

C18H22BrNO2 — CID 66537469

IUPACN-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
SMILESCOc1ccc(Br)c(CNCc2ccccc2)c1OC(C)C
InChIInChI=1S/C18H22BrNO2/c1-13(2)22-18-15(16(19)9-10-17(18)21-3)12-20-11-14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
InChIKeyMGLTWMAYJOCDDV-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.53
Rot. Bonds7

About N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine

N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine (PubChem CID 66537469) has the molecular formula C18H22BrNO2 and a molecular weight of 364.28 g/mol. Its IUPAC name is N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
PubChem CID66537469
Molecular FormulaC18H22BrNO2
Molecular Weight364.28 g/mol
Exact Mass363.08
IUPAC NameN-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
SMILESCOc1ccc(Br)c(CNCc2ccccc2)c1OC(C)C
InChIInChI=1S/C18H22BrNO2/c1-13(2)22-18-15(16(19)9-10-17(18)21-3)12-20-11-14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3
InChIKeyMGLTWMAYJOCDDV-UHFFFAOYSA-N
XLogP4.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 66537508
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 66537318
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66537459
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66537304
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 66537474
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 66535478
N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 11393628
1-(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)propan-2-one
CID 117484933
1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 66535502
3-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methylamino]-2-methylbenzoic acid
CID 66543787
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine
CID 66535464

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine (CID 66537469) is N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine is COc1ccc(Br)c(CNCc2ccccc2)c1OC(C)C.
What is the InChIKey of N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine?
The InChIKey is MGLTWMAYJOCDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO2/c1-13(2)22-18-15(16(19)9-10-17(18)21-3)12-20-11-14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine?
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine has a molecular weight of 364.28 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 66537469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).