N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine

C13H20FN — CID 64866859

IUPACN-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
SMILESCc1ccc(CCNCC(C)C)cc1F
InChIInChI=1S/C13H20FN/c1-10(2)9-15-7-6-12-5-4-11(3)13(14)8-12/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyVQDLDLRBNQXOSG-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.92
Rot. Bonds5

About N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine

N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine (PubChem CID 64866859) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
PubChem CID64866859
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
SMILESCc1ccc(CCNCC(C)C)cc1F
InChIInChI=1S/C13H20FN/c1-10(2)9-15-7-6-12-5-4-11(3)13(14)8-12/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyVQDLDLRBNQXOSG-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904534
2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545559
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492
3-(3-fluoro-4-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 107129577
2-fluoro-4-(2-iodoethyl)-1-methylbenzene
CID 90129406
2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine
CID 65104535
N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65303172
2-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]-3-methylbutanoic acid
CID 115250409
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 63646570
2-methyl-N-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]propan-1-amine;molecular hydrogen
CID 162110606
4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303435

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine (CID 64866859) is N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine is Cc1ccc(CCNCC(C)C)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is VQDLDLRBNQXOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-10(2)9-15-7-6-12-5-4-11(3)13(14)8-12/h4-5,8,10,15H,6-7,9H2,1-3H3.
What are the key properties of N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine?
N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64866859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).