1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine

C14H20BrNO2 — CID 117499689

IUPAC1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)cc(Br)c1OC1CC1
InChIInChI=1S/C14H20BrNO2/c1-14(2,16)8-9-6-11(15)13(12(7-9)17-3)18-10-4-5-10/h6-7,10H,4-5,8,16H2,1-3H3
InChIKeyVXCNWVXYWGVVSY-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.28
Rot. Bonds5

About 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine

1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine (PubChem CID 117499689) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine
PubChem CID117499689
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine
SMILESCOc1cc(CC(C)(C)N)cc(Br)c1OC1CC1
InChIInChI=1S/C14H20BrNO2/c1-14(2,16)8-9-6-11(15)13(12(7-9)17-3)18-10-4-5-10/h6-7,10H,4-5,8,16H2,1-3H3
InChIKeyVXCNWVXYWGVVSY-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-5-(bromomethyl)-2-(3,4-dimethylcyclohexyl)oxy-3-methoxybenzene
CID 64738583
[3-bromo-5-methoxy-4-(oxan-4-yloxy)phenyl]methanol
CID 63936239
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-amine
CID 117483716
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine
CID 84815906
2-[(3-bromo-4-cyclopentyloxy-5-methoxyphenyl)methylamino]ethanol
CID 2992556
(3-bromo-4-cyclohex-2-en-1-yloxy-5-methoxyphenyl)methanol
CID 114620145
2-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)propan-1-ol
CID 117485134
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386556
1-[3-(fluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-2-amine
CID 117355493
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-methylbut-3-yn-2-amine
CID 63997065
1-(3-cyclopentyl-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117371838
1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]-2-methylpropan-2-amine
CID 117482437

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine (CID 117499689) is 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine is COc1cc(CC(C)(C)N)cc(Br)c1OC1CC1.
What is the InChIKey of 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine?
The InChIKey is VXCNWVXYWGVVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-14(2,16)8-9-6-11(15)13(12(7-9)17-3)18-10-4-5-10/h6-7,10H,4-5,8,16H2,1-3H3.
What are the key properties of 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine?
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine has a molecular weight of 314.22 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117499689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).