N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine

C16H25FN2 — CID 107453965

IUPACN-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cc(CNCC)ccc1F
InChIInChI=1S/C16H25FN2/c1-5-18-10-14-7-8-16(17)15(9-14)12-19(6-2)11-13(3)4/h7-9,18H,3,5-6,10-12H2,1-2,4H3
InChIKeyYCUGFUSTVWHJKK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.33
Rot. Bonds8

About N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine

N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine (PubChem CID 107453965) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine
PubChem CID107453965
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cc(CNCC)ccc1F
InChIInChI=1S/C16H25FN2/c1-5-18-10-14-7-8-16(17)15(9-14)12-19(6-2)11-13(3)4/h7-9,18H,3,5-6,10-12H2,1-2,4H3
InChIKeyYCUGFUSTVWHJKK-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.33
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-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine
CID 107455464
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine
CID 105346685
N-[[3-[[ethyl(2-methylpropyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454147
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,2-dimethylprop-2-en-1-amine
CID 107455650
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107454440
N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine
CID 62417271
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-methylcycloheptanamine
CID 107454386
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine
CID 62418026
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 107453578
N-[[3-[[ethyl(prop-2-enyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455498

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine (CID 107453965) is N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1cc(CNCC)ccc1F.
What is the InChIKey of N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine?
The InChIKey is YCUGFUSTVWHJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-5-18-10-14-7-8-16(17)15(9-14)12-19(6-2)11-13(3)4/h7-9,18H,3,5-6,10-12H2,1-2,4H3.
What are the key properties of N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine?
N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 107453965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).