1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine

C15H20BrNO — CID 117495028

IUPAC1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(OCC3CC3)c2Br)CC1
InChIInChI=1S/C15H20BrNO/c1-10(17)15(7-8-15)12-3-2-4-13(14(12)16)18-9-11-5-6-11/h2-4,10-11H,5-9,17H2,1H3
InChIKeyLJVPNFJPVCRXGG-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.62
Rot. Bonds5

About 1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine

1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine (PubChem CID 117495028) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
PubChem CID117495028
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(OCC3CC3)c2Br)CC1
InChIInChI=1S/C15H20BrNO/c1-10(17)15(7-8-15)12-3-2-4-13(14(12)16)18-9-11-5-6-11/h2-4,10-11H,5-9,17H2,1H3
InChIKeyLJVPNFJPVCRXGG-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
CID 117418708
2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene
CID 171373950
1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine
CID 117402799
2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol
CID 117460851
2-amino-2-[2-bromo-3-(cyclopropylmethoxy)phenyl]acetic acid
CID 117483105
O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117461107
2-[2-bromo-3-(cyclopropylmethoxy)phenyl]acetic acid
CID 117458882
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460987
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 117352245
[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
CID 117371168
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine (CID 117495028) is 1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2cccc(OCC3CC3)c2Br)CC1.
What is the InChIKey of 1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine?
The InChIKey is LJVPNFJPVCRXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10(17)15(7-8-15)12-3-2-4-13(14(12)16)18-9-11-5-6-11/h2-4,10-11H,5-9,17H2,1H3.
What are the key properties of 1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine?
1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine has a molecular weight of 310.24 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117495028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).