1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride

C16H27ClFNO — CID 19892143

IUPAC1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride
SMILESCCCCCCCNCCC(O)c1ccc(F)cc1.Cl
InChIInChI=1S/C16H26FNO.ClH/c1-2-3-4-5-6-12-18-13-11-16(19)14-7-9-15(17)10-8-14;/h7-10,16,18-19H,2-6,11-13H2,1H3;1H
InChIKeyGUHXFKOKTNRDLC-UHFFFAOYSA-N
MW303.85 g/mol
LogP4.23
Rot. Bonds10

About 1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride

1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride (PubChem CID 19892143) has the molecular formula C16H27ClFNO and a molecular weight of 303.85 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride
PubChem CID19892143
Molecular FormulaC16H27ClFNO
Molecular Weight303.85 g/mol
Exact Mass303.18
IUPAC Name1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride
SMILESCCCCCCCNCCC(O)c1ccc(F)cc1.Cl
InChIInChI=1S/C16H26FNO.ClH/c1-2-3-4-5-6-12-18-13-11-16(19)14-7-9-15(17)10-8-14;/h7-10,16,18-19H,2-6,11-13H2,1H3;1H
InChIKeyGUHXFKOKTNRDLC-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.85
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 65426373
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N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine
CID 10088401
3-decylsulfanyl-1-(4-fluorophenyl)propan-1-ol
CID 10471632
3-(4-butylanilino)-1-(4-fluorophenyl)propan-1-ol
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3-(nonadecylamino)propane-1,1-diol;hydrochloride
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3-(dodecylamino)propane-1,1-diol;hydrochloride
CID 173003690
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide
CID 110665794
3-(pentacosylamino)propane-1,1-diol
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1-(4-fluorophenyl)-2-(3-methylbutylamino)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride (CID 19892143) is 1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride is CCCCCCCNCCC(O)c1ccc(F)cc1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride?
The InChIKey is GUHXFKOKTNRDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO.ClH/c1-2-3-4-5-6-12-18-13-11-16(19)14-7-9-15(17)10-8-14;/h7-10,16,18-19H,2-6,11-13H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride?
1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride has a molecular weight of 303.85 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 19892143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).