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

C14H22FNO — CID 81105702

IUPACN-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(OCCCF)c(CNC(C)C)c1
InChIInChI=1S/C14H22FNO/c1-11(2)16-10-13-9-12(3)5-6-14(13)17-8-4-7-15/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyBMFQPLOAOVCSGR-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.23
Rot. Bonds7

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

N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine (PubChem CID 81105702) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
PubChem CID81105702
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
SMILESCc1ccc(OCCCF)c(CNC(C)C)c1
InChIInChI=1S/C14H22FNO/c1-11(2)16-10-13-9-12(3)5-6-14(13)17-8-4-7-15/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyBMFQPLOAOVCSGR-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(4-methoxybutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 104647081
N-[[2-(3-fluoropropoxy)-5-methoxyphenyl]methyl]propan-2-amine
CID 81106019
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 81106035
N-[[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 63326742
N-[[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]methyl]propan-2-amine
CID 55204171
N-[[2-(3-methoxy-3-methylbutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 103032811
methyl 3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanoate
CID 63949714
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
N,N-dimethyl-3-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]propanamide
CID 63323400
N-[[5-methyl-2-(2,2,2-trifluoroethoxymethoxy)phenyl]methyl]propan-2-amine
CID 106704675
N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158505
1-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]-3-propan-2-yloxypropan-2-ol
CID 63988007

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine (CID 81105702) is N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine is Cc1ccc(OCCCF)c(CNC(C)C)c1.
What is the InChIKey of N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine?
The InChIKey is BMFQPLOAOVCSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-11(2)16-10-13-9-12(3)5-6-14(13)17-8-4-7-15/h5-6,9,11,16H,4,7-8,10H2,1-3H3.
What are the key properties of N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine?
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 81105702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).