2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine

C14H20BrNO2 — CID 117499898

IUPAC2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine
SMILESCOc1cc(C(C)CN)c(Br)cc1OCC1CC1
InChIInChI=1S/C14H20BrNO2/c1-9(7-16)11-5-13(17-2)14(6-12(11)15)18-8-10-3-4-10/h5-6,9-10H,3-4,7-8,16H2,1-2H3
InChIKeyGQQRZXYAHBZDJX-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.31
Rot. Bonds6

About 2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine

2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine (PubChem CID 117499898) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine
PubChem CID117499898
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine
SMILESCOc1cc(C(C)CN)c(Br)cc1OCC1CC1
InChIInChI=1S/C14H20BrNO2/c1-9(7-16)11-5-13(17-2)14(6-12(11)15)18-8-10-3-4-10/h5-6,9-10H,3-4,7-8,16H2,1-2H3
InChIKeyGQQRZXYAHBZDJX-UHFFFAOYSA-N
XLogP3.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499903
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343380
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
1-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-one
CID 117498472
1-(2-bromo-4,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 62065826
[3-bromo-5-(cyclopropylmethoxy)-4-methoxyphenyl]methanamine
CID 117460838
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
S-[3-bromo-4-(cyclopropylmethoxy)phenoxy]thiohydroxylamine;ethane
CID 144832890
2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
CID 117320100
2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine
CID 117392715
1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
CID 61096538

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine?
The IUPAC name of 2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine (CID 117499898) is 2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine.
What is the SMILES notation for 2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine?
The canonical SMILES for 2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine is COc1cc(C(C)CN)c(Br)cc1OCC1CC1.
What is the InChIKey of 2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine?
The InChIKey is GQQRZXYAHBZDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9(7-16)11-5-13(17-2)14(6-12(11)15)18-8-10-3-4-10/h5-6,9-10H,3-4,7-8,16H2,1-2H3.
What are the key properties of 2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine?
2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine has a molecular weight of 314.22 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine is sourced from PubChem (CID 117499898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).