1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol

C15H25FN2O2 — CID 115996898

IUPAC1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CC(C)C(N)c1ccccc1F
InChIInChI=1S/C15H25FN2O2/c1-11(8-18(2)9-12(19)10-20-3)15(17)13-6-4-5-7-14(13)16/h4-7,11-12,15,19H,8-10,17H2,1-3H3
InChIKeyPCCVEWRJTQPUBO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.40
Rot. Bonds8

About 1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol

1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 115996898) has the molecular formula C15H25FN2O2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol
PubChem CID115996898
Molecular FormulaC15H25FN2O2
Molecular Weight284.38 g/mol
Exact Mass284.19
IUPAC Name1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)CC(C)C(N)c1ccccc1F
InChIInChI=1S/C15H25FN2O2/c1-11(8-18(2)9-12(19)10-20-3)15(17)13-6-4-5-7-14(13)16/h4-7,11-12,15,19H,8-10,17H2,1-3H3
InChIKeyPCCVEWRJTQPUBO-UHFFFAOYSA-N
XLogP1.40
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N'-(2-methoxyethyl)-N',2-dimethylpropane-1,3-diamine
CID 112679868
1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine
CID 115996681
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 115996768
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81101528
1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 114058272
1-(2-fluorophenyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115996861
N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol
CID 112679871
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
CID 112679850
1-(2-fluorophenyl)-N'-(3-methoxypropyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115996926
1-(2-fluorophenyl)-3-[2-methoxyethyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 115997200

Frequently Asked Questions

What is the IUPAC name of 1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol (CID 115996898) is 1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)CC(C)C(N)c1ccccc1F.
What is the InChIKey of 1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is PCCVEWRJTQPUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2/c1-11(8-18(2)9-12(19)10-20-3)15(17)13-6-4-5-7-14(13)16/h4-7,11-12,15,19H,8-10,17H2,1-3H3.
What are the key properties of 1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol?
1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 284.38 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 115996898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).