3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol

C16H25FN2O — CID 115941544

IUPAC3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
SMILESCCCN(CC1CC1)CC(C)C(O)c1ccc(F)cn1
InChIInChI=1S/C16H25FN2O/c1-3-8-19(11-13-4-5-13)10-12(2)16(20)15-7-6-14(17)9-18-15/h6-7,9,12-13,16,20H,3-5,8,10-11H2,1-2H3
InChIKeyGVCLCBDGXJQWMS-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.01
Rot. Bonds8

About 3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol

3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol (PubChem CID 115941544) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
PubChem CID115941544
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
SMILESCCCN(CC1CC1)CC(C)C(O)c1ccc(F)cn1
InChIInChI=1S/C16H25FN2O/c1-3-8-19(11-13-4-5-13)10-12(2)16(20)15-7-6-14(17)9-18-15/h6-7,9,12-13,16,20H,3-5,8,10-11H2,1-2H3
InChIKeyGVCLCBDGXJQWMS-UHFFFAOYSA-N
XLogP3.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586409
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
CID 110883262
3-[3-(dimethylamino)propyl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 102997242
1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-methylbutan-2-yl)amino]propan-1-ol
CID 112586417
1-(5-fluoro-2-pyridinyl)-2-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115941597
N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126650
3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 103191427
3-[butan-2-yl(2-methoxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941567
N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83126725
3-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941523
3-[ethyl(1-methoxypropan-2-yl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941535
(2R)-1-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 103935017

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol (CID 115941544) is 3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol is CCCN(CC1CC1)CC(C)C(O)c1ccc(F)cn1.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
The InChIKey is GVCLCBDGXJQWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-8-19(11-13-4-5-13)10-12(2)16(20)15-7-6-14(17)9-18-15/h6-7,9,12-13,16,20H,3-5,8,10-11H2,1-2H3.
What are the key properties of 3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol?
3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol is sourced from PubChem (CID 115941544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).