[(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride

C14H19ClFNO — CID 86287636

IUPAC[(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@H]1c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C14H18FNO.ClH/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16;/h3-4,6,9-10,12H,1-2,5,7-8,16H2;1H/t10-,12-;/m1./s1
InChIKeySKONFARCFJPYJX-MHDYBILJSA-N
MW271.76 g/mol
LogP3.10
Rot. Bonds5

About [(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride

[(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride (PubChem CID 86287636) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is [(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride
PubChem CID86287636
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name[(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@H]1c1cc(F)ccc1OCC1CC1
InChIInChI=1S/C14H18FNO.ClH/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16;/h3-4,6,9-10,12H,1-2,5,7-8,16H2;1H/t10-,12-;/m1./s1
InChIKeySKONFARCFJPYJX-MHDYBILJSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine
CID 46937337
[2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methyl-methylidyneazanium
CID 123679899
[(1R,2R)-2-(5-fluoro-2-prop-2-enoxyphenyl)cyclopropyl]methanamine
CID 118733820
[5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117446543
[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]methanamine
CID 94556815
(E)-3-[2-(cyclopropylmethoxy)-5-fluorophenyl]prop-2-en-1-amine
CID 117315957
[(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 118733759
[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572165
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine
CID 117347326
[2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine
CID 122442261
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride (CID 86287636) is [(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride is Cl.NC[C@H]1C[C@H]1c1cc(F)ccc1OCC1CC1.
What is the InChIKey of [(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride?
The InChIKey is SKONFARCFJPYJX-MHDYBILJSA-N. The full InChI is InChI=1S/C14H18FNO.ClH/c15-11-3-4-14(17-8-9-1-2-9)13(6-11)12-5-10(12)7-16;/h3-4,6,9-10,12H,1-2,5,7-8,16H2;1H/t10-,12-;/m1./s1.
What are the key properties of [(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride?
[(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride has a molecular weight of 271.76 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 86287636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).