N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine

C14H22FNO2 — CID 81106019

IUPACN-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
SMILESCOc1ccc(OCCCF)c(CNC(C)C)c1
InChIInChI=1S/C14H22FNO2/c1-11(2)16-10-12-9-13(17-3)5-6-14(12)18-8-4-7-15/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyNIRKYIWSVRIZEF-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.93
Rot. Bonds8

About N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine

N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine (PubChem CID 81106019) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
PubChem CID81106019
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC NameN-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
SMILESCOc1ccc(OCCCF)c(CNC(C)C)c1
InChIInChI=1S/C14H22FNO2/c1-11(2)16-10-12-9-13(17-3)5-6-14(12)18-8-4-7-15/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyNIRKYIWSVRIZEF-UHFFFAOYSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
CID 81105702
4-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanenitrile
CID 60878158
N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423
N-[[5-methoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]propan-2-amine
CID 116614941
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]cyclopropanamine
CID 81106162
2-(chloromethyl)-1-(3-fluoropropoxy)-4-methoxybenzene
CID 81113741
N-[[2-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 60878720
N-[[2-(ethoxymethoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 65364769
4-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-2,2-dimethylbutanenitrile
CID 65249887
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
N-[[2-[(E)-3-chloroprop-2-enoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 60878155
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine (CID 81106019) is N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine is COc1ccc(OCCCF)c(CNC(C)C)c1.
What is the InChIKey of N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine?
The InChIKey is NIRKYIWSVRIZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-11(2)16-10-12-9-13(17-3)5-6-14(12)18-8-4-7-15/h5-6,9,11,16H,4,7-8,10H2,1-3H3.
What are the key properties of N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine?
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine has a molecular weight of 255.33 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 81106019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).