1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol

C15H23FN2O — CID 75445050

IUPAC1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
SMILESCC(NCC1(C(O)C(C)C)CC1)c1cncc(F)c1
InChIInChI=1S/C15H23FN2O/c1-10(2)14(19)15(4-5-15)9-18-11(3)12-6-13(16)8-17-7-12/h6-8,10-11,14,18-19H,4-5,9H2,1-3H3
InChIKeyYCTWZOQCTDRTSM-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.67
Rot. Bonds6

About 1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol

1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol (PubChem CID 75445050) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
PubChem CID75445050
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
SMILESCC(NCC1(C(O)C(C)C)CC1)c1cncc(F)c1
InChIInChI=1S/C15H23FN2O/c1-10(2)14(19)15(4-5-15)9-18-11(3)12-6-13(16)8-17-7-12/h6-8,10-11,14,18-19H,4-5,9H2,1-3H3
InChIKeyYCTWZOQCTDRTSM-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 103776011
1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
CID 113364614
3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol
CID 103904763
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
[1-[1-(5-fluoro-3-pyridinyl)ethylamino]cyclobutyl]methanol
CID 115927993
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
1-(5-fluoro-3-pyridinyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107166794
2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol
CID 103780351
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115721383
N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103780380
5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile
CID 115716617
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine
CID 115709749

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol (CID 75445050) is 1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol is CC(NCC1(C(O)C(C)C)CC1)c1cncc(F)c1.
What is the InChIKey of 1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol?
The InChIKey is YCTWZOQCTDRTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(2)14(19)15(4-5-15)9-18-11(3)12-6-13(16)8-17-7-12/h6-8,10-11,14,18-19H,4-5,9H2,1-3H3.
What are the key properties of 1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol?
1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol is sourced from PubChem (CID 75445050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).