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

C14H22FNO — CID 61247130

IUPAC2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(C)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-10(2)7-14(9-17)16-11(3)12-5-4-6-13(15)8-12/h4-6,8,10-11,14,16-17H,7,9H2,1-3H3
InChIKeySBRBNUIRDHLVAL-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.88
Rot. Bonds6

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

2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol (PubChem CID 61247130) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
PubChem CID61247130
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(C)c1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-10(2)7-14(9-17)16-11(3)12-5-4-6-13(15)8-12/h4-6,8,10-11,14,16-17H,7,9H2,1-3H3
InChIKeySBRBNUIRDHLVAL-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 114871461
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 43094653
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77032783
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
4-methyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]pentan-1-ol
CID 61246406
6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine
CID 104889893

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol?
The IUPAC name of 2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol (CID 61247130) is 2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol is CC(C)CC(CO)NC(C)c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol?
The InChIKey is SBRBNUIRDHLVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10(2)7-14(9-17)16-11(3)12-5-4-6-13(15)8-12/h4-6,8,10-11,14,16-17H,7,9H2,1-3H3.
What are the key properties of 2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol?
2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 61247130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).