[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine

C14H18BrNO2 — CID 117497040

IUPAC[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1cc(Br)cc(C2(CN)CC2)c1OC1CC1
InChIInChI=1S/C14H18BrNO2/c1-17-12-7-9(15)6-11(14(8-16)4-5-14)13(12)18-10-2-3-10/h6-7,10H,2-5,8,16H2,1H3
InChIKeyUVNTWVZLTQQAKQ-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.99
Rot. Bonds5

About [1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine

[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine (PubChem CID 117497040) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is [1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine
PubChem CID117497040
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1cc(Br)cc(C2(CN)CC2)c1OC1CC1
InChIInChI=1S/C14H18BrNO2/c1-17-12-7-9(15)6-11(14(8-16)4-5-14)13(12)18-10-2-3-10/h6-7,10H,2-5,8,16H2,1H3
InChIKeyUVNTWVZLTQQAKQ-UHFFFAOYSA-N
XLogP2.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
[1-(5-chloro-2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117476564
[1-(2-cyclopropyloxy-3-methoxyphenyl)cyclopentyl]methanamine
CID 117407993
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine
CID 117483705
O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117486423
[1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine
CID 117495123
[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117492478
2-amino-1-(5-bromo-2-cyclobutyloxy-3-methoxyphenyl)ethanone
CID 117499384
5-bromo-2-cyclobutyloxy-3-methoxyphenol
CID 84713521
[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117444480
[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
CID 117351120

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine (CID 117497040) is [1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine is COc1cc(Br)cc(C2(CN)CC2)c1OC1CC1.
What is the InChIKey of [1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine?
The InChIKey is UVNTWVZLTQQAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-17-12-7-9(15)6-11(14(8-16)4-5-14)13(12)18-10-2-3-10/h6-7,10H,2-5,8,16H2,1H3.
What are the key properties of [1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine?
[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine has a molecular weight of 312.21 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117497040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).