N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine

C14H23FN2O — CID 81106538

IUPACN-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(OCCCF)c(CNCC(C)C)n1
InChIInChI=1S/C14H23FN2O/c1-11(2)9-16-10-13-14(18-8-4-7-15)6-5-12(3)17-13/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyBIFSQZRYRQTSGG-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.87
Rot. Bonds8

About N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 81106538) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID81106538
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC NameN-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(OCCCF)c(CNCC(C)C)n1
InChIInChI=1S/C14H23FN2O/c1-11(2)9-16-10-13-14(18-8-4-7-15)6-5-12(3)17-13/h5-6,11,16H,4,7-10H2,1-3H3
InChIKeyBIFSQZRYRQTSGG-UHFFFAOYSA-N
XLogP2.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.87
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-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156805
N-[[3-(2-butoxyethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79158487
N-[[3-(methoxymethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79156612
N-[[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79159102
2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanoic acid
CID 79157379
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]-2-methylpropan-1-amine
CID 81106035
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
2-methyl-N-[[6-methyl-3-[(1-methyltriazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 107041509
N-methyl-1-[6-methyl-3-[2-(2-methylpropoxy)ethoxy]-2-pyridinyl]methanamine
CID 106450396
2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79158480
2-methyl-N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79156998
N-[[4-(3-fluoropropoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 81106899

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 81106538) is N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1ccc(OCCCF)c(CNCC(C)C)n1.
What is the InChIKey of N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BIFSQZRYRQTSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-11(2)9-16-10-13-14(18-8-4-7-15)6-5-12(3)17-13/h5-6,11,16H,4,7-10H2,1-3H3.
What are the key properties of N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 254.35 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluoropropoxy)-6-methyl-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81106538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).