[(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride

C12H17Cl2NO — CID 118733759

IUPAC[(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-2-15-12-4-3-9(13)6-11(12)10-5-8(10)7-14;/h3-4,6,8,10H,2,5,7,14H2,1H3;1H/t8-,10+;/m0./s1
InChIKeyNBUQRQMERYFRAJ-KXNXZCPBSA-N
MW262.18 g/mol
LogP3.22
Rot. Bonds4

About [(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride

[(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride (PubChem CID 118733759) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is [(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
PubChem CID118733759
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name[(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
SMILESCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-2-15-12-4-3-9(13)6-11(12)10-5-8(10)7-14;/h3-4,6,8,10H,2,5,7,14H2,1H3;1H/t8-,10+;/m0./s1
InChIKeyNBUQRQMERYFRAJ-KXNXZCPBSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine
CID 122442261
[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine
CID 94557667
[2-[2-[4-[2-(aminomethyl)-3-[5-chloro-2-(2-methoxyethoxy)phenyl]cyclopropyl]-3-methylbutoxy]-5-chlorophenyl]cyclopropyl]methanamine
CID 139469614
[(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride
CID 86287636
[(1S,2S)-2-[5-methyl-2-(2-methylpropoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 70687692
[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine
CID 46937337
[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70681343
3-bromo-2-methylprop-1-ene;tert-butyl N-[[2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl]carbamate;tert-butyl N-[[2-[5-chloro-2-(2-methylprop-2-enoxy)phenyl]cyclopropyl]methyl]carbamate;[2-[5-chloro-2-(2-methylprop-2-enoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 162224320
[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572165
[2-[2-chloro-3-fluoro-6-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine
CID 122442275
[(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine
CID 118733820
[(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanamine
CID 94556792

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride (CID 118733759) is [(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride is CCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN.Cl.
What is the InChIKey of [(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is NBUQRQMERYFRAJ-KXNXZCPBSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c1-2-15-12-4-3-9(13)6-11(12)10-5-8(10)7-14;/h3-4,6,8,10H,2,5,7,14H2,1H3;1H/t8-,10+;/m0./s1.
What are the key properties of [(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride?
[(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 118733759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).