1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine

C14H20BrNO2 — CID 117499584

IUPAC1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(Br)c(CC2(N)CC2)cc1OC(C)C
InChIInChI=1S/C14H20BrNO2/c1-9(2)18-13-6-10(8-14(16)4-5-14)11(15)7-12(13)17-3/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyRGVFLIZXCFKEDW-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.28
Rot. Bonds5

About 1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine

1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117499584) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117499584
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1cc(Br)c(CC2(N)CC2)cc1OC(C)C
InChIInChI=1S/C14H20BrNO2/c1-9(2)18-13-6-10(8-14(16)4-5-14)11(15)7-12(13)17-3/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyRGVFLIZXCFKEDW-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

(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methanamine
CID 16637954
1-bromo-2-(2-iodoethyl)-5-methoxy-4-propan-2-yloxybenzene
CID 16638804
2-(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)acetonitrile
CID 84812805
2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine
CID 117486828
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropan-1-amine
CID 105423331
1-[[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117483540
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine
CID 117381647
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]heptan-1-amine
CID 66535665
4-[(1-aminocyclopropyl)methyl]-2,5-dimethoxybenzenethiol
CID 168930817
N-[(2-bromo-5-methoxy-4-propan-2-yloxyphenyl)methyl]-2,4-dichloroaniline
CID 66542996

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine (CID 117499584) is 1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine is COc1cc(Br)c(CC2(N)CC2)cc1OC(C)C.
What is the InChIKey of 1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is RGVFLIZXCFKEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9(2)18-13-6-10(8-14(16)4-5-14)11(15)7-12(13)17-3/h6-7,9H,4-5,8,16H2,1-3H3.
What are the key properties of 1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine?
1-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-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-[(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117499584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).