(2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol

C18H21FN2O2 — CID 54531034

IUPAC(2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@](O)(F)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C18H21FN2O2/c1-12(2)20-10-18(19,22)11-23-16-9-5-8-15-17(16)13-6-3-4-7-14(13)21-15/h3-9,12,20-22H,10-11H2,1-2H3/t18-/m1/s1
InChIKeyYWOCHLJJNKIOQV-GOSISDBHSA-N
MW316.38 g/mol
LogP3.36
Rot. Bonds6

About (2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol

(2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol (PubChem CID 54531034) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol
PubChem CID54531034
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@](O)(F)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C18H21FN2O2/c1-12(2)20-10-18(19,22)11-23-16-9-5-8-15-17(16)13-6-3-4-7-14(13)21-15/h3-9,12,20-22H,10-11H2,1-2H3/t18-/m1/s1
InChIKeyYWOCHLJJNKIOQV-GOSISDBHSA-N
XLogP3.36
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

1-(9H-carbazol-4-yloxy)-2-methylpropan-2-ol
CID 101255644
4-(2,2-dimethylpropoxy)-9H-carbazole
CID 59827319
N-[3-(9H-carbazol-4-yloxy)propyl]-1-fluoropropan-2-amine
CID 143717963
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
4-[[4-(trifluoromethyl)phenyl]methoxy]-9H-carbazole
CID 175538568
3-bromoprop-1-yne;1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;3-(9H-carbazol-4-yloxy)-N-propan-2-yl-2-prop-2-ynoxypropan-1-amine
CID 157267865
1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride
CID 162640454
9H-carbazol-4-yl N,N-diethylcarbamate
CID 165357789
(2R)-1-(9H-carbazol-4-yl)-3-(propan-2-ylamino)propan-2-ol
CID 102058988
2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine
CID 162659566
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol (CID 54531034) is (2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@](O)(F)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of (2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is YWOCHLJJNKIOQV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12(2)20-10-18(19,22)11-23-16-9-5-8-15-17(16)13-6-3-4-7-14(13)21-15/h3-9,12,20-22H,10-11H2,1-2H3/t18-/m1/s1.
What are the key properties of (2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol?
(2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 316.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(9H-carbazol-4-yloxy)-2-fluoro-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 54531034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).