N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine

C14H22FNO — CID 107446727

IUPACN-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CC(F)CNC(C)(C)C)c1
InChIInChI=1S/C14H22FNO/c1-14(2,3)16-10-12(15)8-11-6-5-7-13(9-11)17-4/h5-7,9,12,16H,8,10H2,1-4H3
InChIKeyLIRYFVMAQNXTQO-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.96
Rot. Bonds5

About N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine

N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine (PubChem CID 107446727) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine
PubChem CID107446727
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine
SMILESCOc1cccc(CC(F)CNC(C)(C)C)c1
InChIInChI=1S/C14H22FNO/c1-14(2,3)16-10-12(15)8-11-6-5-7-13(9-11)17-4/h5-7,9,12,16H,8,10H2,1-4H3
InChIKeyLIRYFVMAQNXTQO-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-[(3-methoxyphenyl)methyl]propane-1,2-diamine
CID 113407506
N-[2-fluoro-3-[3-(trifluoromethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 107446774
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 62107638
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 28623734
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748
1-(3-methoxyphenyl)-3-methylpentane-2,3-diol
CID 103448604
1-chloro-N-[(3-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 65026569
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
3-ethyl-N-[(3-methoxyphenyl)methyl]pentan-3-amine
CID 65039406
N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
CID 62110255
2,2,2-trifluoro-N-[1-iodo-2-(3-methoxyphenyl)ethyl]acetamide
CID 87198621

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine (CID 107446727) is N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine is COc1cccc(CC(F)CNC(C)(C)C)c1.
What is the InChIKey of N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine?
The InChIKey is LIRYFVMAQNXTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-14(2,3)16-10-12(15)8-11-6-5-7-13(9-11)17-4/h5-7,9,12,16H,8,10H2,1-4H3.
What are the key properties of N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine?
N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).