N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine

C14H21FN2 — CID 107455517

IUPACN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine
SMILESC=CCN(Cc1cc(CN)ccc1F)C(C)C
InChIInChI=1S/C14H21FN2/c1-4-7-17(11(2)3)10-13-8-12(9-16)5-6-14(13)15/h4-6,8,11H,1,7,9-10,16H2,2-3H3
InChIKeySWEXDLKVRQWLSN-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.68
Rot. Bonds6

About N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine (PubChem CID 107455517) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine
PubChem CID107455517
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine
SMILESC=CCN(Cc1cc(CN)ccc1F)C(C)C
InChIInChI=1S/C14H21FN2/c1-4-7-17(11(2)3)10-13-8-12(9-16)5-6-14(13)15/h4-6,8,11H,1,7,9-10,16H2,2-3H3
InChIKeySWEXDLKVRQWLSN-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001858
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylbutan-2-amine
CID 43569716
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine
CID 55001670
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-ethylprop-2-yn-1-amine
CID 107455452
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112657864
N-[[3-[[ethyl(prop-2-enyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455498
2-[(5-bromo-2-fluorophenyl)methyl-prop-2-enylamino]propanoic acid
CID 119135107
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine
CID 107455650
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine
CID 107455541
methyl 2-[[5-(aminomethyl)-2-fluorophenyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63382910
N-[[2-fluoro-5-(propylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 107454847

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine?
The IUPAC name of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine (CID 107455517) is N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine?
The canonical SMILES for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine is C=CCN(Cc1cc(CN)ccc1F)C(C)C.
What is the InChIKey of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine?
The InChIKey is SWEXDLKVRQWLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-4-7-17(11(2)3)10-13-8-12(9-16)5-6-14(13)15/h4-6,8,11H,1,7,9-10,16H2,2-3H3.
What are the key properties of N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine?
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine has a molecular weight of 236.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 107455517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).