1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol

C16H20FNO2 — CID 24713693

IUPAC1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)CN(Cc1ccccc1F)C1CC1
InChIInChI=1S/C16H20FNO2/c1-2-9-20-12-15(19)11-18(14-7-8-14)10-13-5-3-4-6-16(13)17/h1,3-6,14-15,19H,7-12H2
InChIKeyGCWMMVGNTUQWJK-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.80
Rot. Bonds8

About 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol

1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol (PubChem CID 24713693) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
PubChem CID24713693
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
SMILESC#CCOCC(O)CN(Cc1ccccc1F)C1CC1
InChIInChI=1S/C16H20FNO2/c1-2-9-20-12-15(19)11-18(14-7-8-14)10-13-5-3-4-6-16(13)17/h1,3-6,14-15,19H,7-12H2
InChIKeyGCWMMVGNTUQWJK-UHFFFAOYSA-N
XLogP1.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 24713875
(2S)-1-[cyclopropyl-[[5-(2-fluorophenoxy)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 93219877
1-[cyclopropyl-[(3,5-dimethoxyphenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 24713068
1-[benzyl(methyl)amino]-3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]propan-2-ol
CID 86882558
1-[cyclopropyl-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 46026664
(2R)-1-[cyclopropyl-[[5-(3-fluorophenoxy)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 93219908
1-[cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 42794956
(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 129420010
1-[cyclopropyl-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]butan-2-ol
CID 42794758
1-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-3-propan-2-yloxypropan-2-ol
CID 78832763
(2S)-1-[(2,4-difluorophenyl)methyl-(2-methylpropyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 93162622
(2R)-1-[cyclopropyl-[[5-(3-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 93218831

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol?
The IUPAC name of 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol (CID 24713693) is 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol.
What is the SMILES notation for 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol?
The canonical SMILES for 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol is C#CCOCC(O)CN(Cc1ccccc1F)C1CC1.
What is the InChIKey of 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol?
The InChIKey is GCWMMVGNTUQWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-2-9-20-12-15(19)11-18(14-7-8-14)10-13-5-3-4-6-16(13)17/h1,3-6,14-15,19H,7-12H2.
What are the key properties of 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol?
1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol has a molecular weight of 277.34 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol is sourced from PubChem (CID 24713693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).