6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol

C19H30FNO — CID 142233954

IUPAC6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCCN(C)CCC1(O)CCc2cc(F)ccc2C1C(C)C
InChIInChI=1S/C19H30FNO/c1-5-11-21(4)12-10-19(22)9-8-15-13-16(20)6-7-17(15)18(19)14(2)3/h6-7,13-14,18,22H,5,8-12H2,1-4H3
InChIKeyJXNQRMWINBGQIU-UHFFFAOYSA-N
MW307.45 g/mol
LogP3.97
Rot. Bonds6

About 6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol

6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 142233954) has the molecular formula C19H30FNO and a molecular weight of 307.45 g/mol. Its IUPAC name is 6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID142233954
Molecular FormulaC19H30FNO
Molecular Weight307.45 g/mol
Exact Mass307.23
IUPAC Name6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCCN(C)CCC1(O)CCc2cc(F)ccc2C1C(C)C
InChIInChI=1S/C19H30FNO/c1-5-11-21(4)12-10-19(22)9-8-15-13-16(20)6-7-17(15)18(19)14(2)3/h6-7,13-14,18,22H,5,8-12H2,1-4H3
InChIKeyJXNQRMWINBGQIU-UHFFFAOYSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol (CID 142233954) is 6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol is CCCN(C)CCC1(O)CCc2cc(F)ccc2C1C(C)C.
What is the InChIKey of 6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is JXNQRMWINBGQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FNO/c1-5-11-21(4)12-10-19(22)9-8-15-13-16(20)6-7-17(15)18(19)14(2)3/h6-7,13-14,18,22H,5,8-12H2,1-4H3.
What are the key properties of 6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol?
6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 307.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[2-[methyl(propyl)amino]ethyl]-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 142233954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).