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

C15H20ClNO — CID 117418708

IUPAC1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(Cl)c2OCC2CC2)CC1
InChIInChI=1S/C15H20ClNO/c1-10(17)15(7-8-15)12-3-2-4-13(16)14(12)18-9-11-5-6-11/h2-4,10-11H,5-9,17H2,1H3
InChIKeyMZBIHDRPYXNZFY-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.51
Rot. Bonds5

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

1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine (PubChem CID 117418708) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
PubChem CID117418708
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(Cl)c2OCC2CC2)CC1
InChIInChI=1S/C15H20ClNO/c1-10(17)15(7-8-15)12-3-2-4-13(16)14(12)18-9-11-5-6-11/h2-4,10-11H,5-9,17H2,1H3
InChIKeyMZBIHDRPYXNZFY-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
CID 117495028
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine
CID 117387783
1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117327900
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117390072
1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
1-[1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclopropyl]ethanamine
CID 117402799
1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine
CID 117324448
6-[1-(1-aminoethyl)cyclopropyl]-3-chloro-2-methoxyphenol
CID 117356185
1-(bromomethyl)-3-chloro-2-(cyclopentylmethoxy)benzene
CID 112613746
(2,6-dichlorophenyl) 2-(cyclopropylmethoxy)propanoate
CID 86847227
[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
CID 117371168
1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine (CID 117418708) is 1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2cccc(Cl)c2OCC2CC2)CC1.
What is the InChIKey of 1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine?
The InChIKey is MZBIHDRPYXNZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-10(17)15(7-8-15)12-3-2-4-13(16)14(12)18-9-11-5-6-11/h2-4,10-11H,5-9,17H2,1H3.
What are the key properties of 1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine?
1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine has a molecular weight of 265.78 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117418708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).