N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine

C20H26BrNO2 — CID 66536017

IUPACN-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1c(Br)ccc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H26BrNO2/c1-5-20(2,3)22-13-16-17(21)11-12-18(23-4)19(16)24-14-15-9-7-6-8-10-15/h6-12,22H,5,13-14H2,1-4H3
InChIKeyQRQYWQZKIFGVKV-UHFFFAOYSA-N
MW392.34 g/mol
LogP5.31
Rot. Bonds8

About N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine

N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine (PubChem CID 66536017) has the molecular formula C20H26BrNO2 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine
PubChem CID66536017
Molecular FormulaC20H26BrNO2
Molecular Weight392.34 g/mol
Exact Mass391.11
IUPAC NameN-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1c(Br)ccc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H26BrNO2/c1-5-20(2,3)22-13-16-17(21)11-12-18(23-4)19(16)24-14-15-9-7-6-8-10-15/h6-12,22H,5,13-14H2,1-4H3
InChIKeyQRQYWQZKIFGVKV-UHFFFAOYSA-N
XLogP5.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.34
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 66535502
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine
CID 66535949
N-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 66536901
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-chloroaniline
CID 66543149
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-3,5-dichloroaniline
CID 66543309
3-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methylamino]-4-methoxybenzoic acid
CID 66543152
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-1-phenylethanamine
CID 66535464
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66543392
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 66538646
2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 66536755
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2,5-dichloroaniline
CID 66543312
2-[[6-bromo-3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 66536346

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine (CID 66536017) is N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1c(Br)ccc(OC)c1OCc1ccccc1.
What is the InChIKey of N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine?
The InChIKey is QRQYWQZKIFGVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrNO2/c1-5-20(2,3)22-13-16-17(21)11-12-18(23-4)19(16)24-14-15-9-7-6-8-10-15/h6-12,22H,5,13-14H2,1-4H3.
What are the key properties of N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine?
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine has a molecular weight of 392.34 g/mol, XLogP of 5.31, 8 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-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 66536017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).