2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol

C15H24FNO — CID 115712077

IUPAC2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-11(2)7-15(10-18)17-12(3)8-13-5-4-6-14(16)9-13/h4-6,9,11-12,15,17-18H,7-8,10H2,1-3H3
InChIKeyLQCNTWNYMWCRGG-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.75
Rot. Bonds7

About 2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol

2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol (PubChem CID 115712077) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
PubChem CID115712077
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(C)Cc1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-11(2)7-15(10-18)17-12(3)8-13-5-4-6-14(16)9-13/h4-6,9,11-12,15,17-18H,7-8,10H2,1-3H3
InChIKeyLQCNTWNYMWCRGG-UHFFFAOYSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 61247130
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 103788672
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 114871461
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
CID 115722358
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine
CID 113262082
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114830222

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol (CID 115712077) is 2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol is CC(C)CC(CO)NC(C)Cc1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol?
The InChIKey is LQCNTWNYMWCRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-11(2)7-15(10-18)17-12(3)8-13-5-4-6-14(16)9-13/h4-6,9,11-12,15,17-18H,7-8,10H2,1-3H3.
What are the key properties of 2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol?
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol has a molecular weight of 253.36 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 115712077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).