N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine

C14H22FNO — CID 115722358

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
SMILESCCC(COC)NC(C)Cc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-4-14(10-17-3)16-11(2)8-12-6-5-7-13(15)9-12/h5-7,9,11,14,16H,4,8,10H2,1-3H3
InChIKeyMVTYHTFZLLTFSG-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.77
Rot. Bonds7

About N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine

N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine (PubChem CID 115722358) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
PubChem CID115722358
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
SMILESCCC(COC)NC(C)Cc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-4-14(10-17-3)16-11(2)8-12-6-5-7-13(15)9-12/h5-7,9,11,14,16H,4,8,10H2,1-3H3
InChIKeyMVTYHTFZLLTFSG-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine
CID 113262082
2-[1-(3-fluorophenyl)propan-2-ylamino]-4-methylpentan-1-ol
CID 115712077
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 104926148
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
1-N,1-N-diethyl-2-N-[1-(3-fluorophenyl)propan-2-yl]propane-1,2-diamine
CID 115716941
1-(3-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]propan-2-amine
CID 104979728
N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
CID 114829888
N-[1-(3-fluorophenyl)propan-2-yl]hex-1-yn-3-amine
CID 106227001
1-(3-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 104979819
1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856761
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
4-ethylsulfanyl-N-[1-(3-fluorophenyl)propan-2-yl]butan-2-amine
CID 113262395

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine (CID 115722358) is N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine is CCC(COC)NC(C)Cc1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine?
The InChIKey is MVTYHTFZLLTFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-14(10-17-3)16-11(2)8-12-6-5-7-13(15)9-12/h5-7,9,11,14,16H,4,8,10H2,1-3H3.
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine?
N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine is sourced from PubChem (CID 115722358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).