N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine

C14H22FN — CID 63887724

IUPACN-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(CC(C)C)ccc1F
InChIInChI=1S/C14H22FN/c1-4-7-16-10-13-9-12(8-11(2)3)5-6-14(13)15/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyAVPGMPPJRSLNOU-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.52
Rot. Bonds6

About N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine

N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine (PubChem CID 63887724) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine
PubChem CID63887724
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC NameN-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(CC(C)C)ccc1F
InChIInChI=1S/C14H22FN/c1-4-7-16-10-13-9-12(8-11(2)3)5-6-14(13)15/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyAVPGMPPJRSLNOU-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.52
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

N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
N-[[4-fluoro-3-(2-methylpropoxymethyl)phenyl]methyl]propan-1-amine
CID 107456933
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 107454847
N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine
CID 79824734
N-[[5-(2,5-difluorophenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 61032745
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 63424801
N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 107457179
2-[(3,4-difluorophenyl)methyl]-4-methyl-N-propylpentan-1-amine
CID 82930933
2-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438
2-[(3,4-difluorophenyl)methyl]-3-methyl-N-propylbutan-1-amine
CID 82930838
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 107454799

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine (CID 63887724) is N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine is CCCNCc1cc(CC(C)C)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine?
The InChIKey is AVPGMPPJRSLNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-7-16-10-13-9-12(8-11(2)3)5-6-14(13)15/h5-6,9,11,16H,4,7-8,10H2,1-3H3.
What are the key properties of N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine?
N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63887724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).