(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride

C11H14ClF2NO — CID 171230981

IUPAC(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1ccccc1OC(F)F)C1CC1
InChIInChI=1S/C11H13F2NO.ClH/c12-11(13)15-9-4-2-1-3-8(9)10(14)7-5-6-7;/h1-4,7,10-11H,5-6,14H2;1H/t10-;/m0./s1
InChIKeyNWTJWHOLUBNOGI-PPHPATTJSA-N
MW249.69 g/mol
LogP3.12
Rot. Bonds4

About (S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride

(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride (PubChem CID 171230981) has the molecular formula C11H14ClF2NO and a molecular weight of 249.69 g/mol. Its IUPAC name is (S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
PubChem CID171230981
Molecular FormulaC11H14ClF2NO
Molecular Weight249.69 g/mol
Exact Mass249.07
IUPAC Name(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
SMILESCl.N[C@H](c1ccccc1OC(F)F)C1CC1
InChIInChI=1S/C11H13F2NO.ClH/c12-11(13)15-9-4-2-1-3-8(9)10(14)7-5-6-7;/h1-4,7,10-11H,5-6,14H2;1H/t10-;/m0./s1
InChIKeyNWTJWHOLUBNOGI-PPHPATTJSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[2-(difluoromethoxy)phenyl]methanamine
CID 114981451
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
CID 171208551
(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171250237
(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105093730
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053018
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride?
The IUPAC name of (S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride (CID 171230981) is (S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride is Cl.N[C@H](c1ccccc1OC(F)F)C1CC1.
What is the InChIKey of (S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride?
The InChIKey is NWTJWHOLUBNOGI-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13F2NO.ClH/c12-11(13)15-9-4-2-1-3-8(9)10(14)7-5-6-7;/h1-4,7,10-11H,5-6,14H2;1H/t10-;/m0./s1.
What are the key properties of (S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride?
(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride has a molecular weight of 249.69 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171230981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).