(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine

C11H15F2NO2 — CID 97058293

IUPAC(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine
SMILESC[C@H](N)COCc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H15F2NO2/c1-8(14)6-15-7-9-2-4-10(5-3-9)16-11(12)13/h2-5,8,11H,6-7,14H2,1H3/t8-/m0/s1
InChIKeyKFHISSGQOPRACM-QMMMGPOBSA-N
MW231.24 g/mol
LogP2.15
Rot. Bonds6

About (2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine

(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine (PubChem CID 97058293) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is (2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine
PubChem CID97058293
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine
SMILESC[C@H](N)COCc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H15F2NO2/c1-8(14)6-15-7-9-2-4-10(5-3-9)16-11(12)13/h2-5,8,11H,6-7,14H2,1H3/t8-/m0/s1
InChIKeyKFHISSGQOPRACM-QMMMGPOBSA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]butan-2-amine
CID 97058295
(2R)-1-[[2-(difluoromethoxy)phenyl]methoxy]propan-2-amine
CID 97057954
(2R)-1-[(3,4-dimethylphenyl)methoxy]propan-2-amine
CID 97057920
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
(2S)-1-[(3,5-dichlorophenyl)methoxy]propan-2-amine
CID 97057927
5-[[(2R)-2-aminopropoxy]methyl]-2-(trifluoromethyl)aniline
CID 155114769
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
CID 79012907
1-methoxy-4-[[(2S)-2-methylhexa-3,5-dienoxy]methyl]benzene
CID 91404007
(Z)-5-[(4-methoxyphenyl)methoxy]-4-methylpent-2-enal
CID 10657341

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine?
The IUPAC name of (2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine (CID 97058293) is (2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine.
What is the SMILES notation for (2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine?
The canonical SMILES for (2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine is C[C@H](N)COCc1ccc(OC(F)F)cc1.
What is the InChIKey of (2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine?
The InChIKey is KFHISSGQOPRACM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-8(14)6-15-7-9-2-4-10(5-3-9)16-11(12)13/h2-5,8,11H,6-7,14H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine?
(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine has a molecular weight of 231.24 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine is sourced from PubChem (CID 97058293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).