2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine

C13H18ClNO — CID 56659548

IUPAC2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine
SMILESCC(C)COc1ccc(Cl)cc1C1CC1N
InChIInChI=1S/C13H18ClNO/c1-8(2)7-16-13-4-3-9(14)5-11(13)10-6-12(10)15/h3-5,8,10,12H,6-7,15H2,1-2H3
InChIKeyBVYLMDQBOJJSTN-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.19
Rot. Bonds4

About 2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine

2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine (PubChem CID 56659548) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine
PubChem CID56659548
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine
SMILESCC(C)COc1ccc(Cl)cc1C1CC1N
InChIInChI=1S/C13H18ClNO/c1-8(2)7-16-13-4-3-9(14)5-11(13)10-6-12(10)15/h3-5,8,10,12H,6-7,15H2,1-2H3
InChIKeyBVYLMDQBOJJSTN-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 127028423
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CID 127026867
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CID 70681341
CID 70681341
CID 70683432
CID 70683432
CID 70685539
CID 70685539
CID 70687694
CID 70687694
CID 70693925
CID 70693925
CID 118733759
CID 118733759
CID 118733761
CID 118733761
CID 118733765
CID 118733765
CID 118733767
CID 118733767
CID 118733769
CID 118733769

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine?
The IUPAC name of 2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine (CID 56659548) is 2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine?
The canonical SMILES for 2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine is CC(C)COc1ccc(Cl)cc1C1CC1N.
What is the InChIKey of 2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine?
The InChIKey is BVYLMDQBOJJSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8(2)7-16-13-4-3-9(14)5-11(13)10-6-12(10)15/h3-5,8,10,12H,6-7,15H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine?
2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 56659548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).