N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine

C16H23FN2 — CID 107455464

IUPACN-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine
SMILESC#CCN(CCC)Cc1cc(CNCC)ccc1F
InChIInChI=1S/C16H23FN2/c1-4-9-19(10-5-2)13-15-11-14(12-18-6-3)7-8-16(15)17/h1,7-8,11,18H,5-6,9-10,12-13H2,2-3H3
InChIKeyJPHDTFPAEXHJCQ-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.78
Rot. Bonds8

About N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine

N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine (PubChem CID 107455464) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine
PubChem CID107455464
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine
SMILESC#CCN(CCC)Cc1cc(CNCC)ccc1F
InChIInChI=1S/C16H23FN2/c1-4-9-19(10-5-2)13-15-11-14(12-18-6-3)7-8-16(15)17/h1,7-8,11,18H,5-6,9-10,12-13H2,2-3H3
InChIKeyJPHDTFPAEXHJCQ-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455460
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-ethylprop-2-yn-1-amine
CID 107455452
N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine
CID 107453965
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine
CID 105348088
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 107453578
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107454440
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-methylcycloheptanamine
CID 107454386
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
N-[[3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454527

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine (CID 107455464) is N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine is C#CCN(CCC)Cc1cc(CNCC)ccc1F.
What is the InChIKey of N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine?
The InChIKey is JPHDTFPAEXHJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-4-9-19(10-5-2)13-15-11-14(12-18-6-3)7-8-16(15)17/h1,7-8,11,18H,5-6,9-10,12-13H2,2-3H3.
What are the key properties of N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine?
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine has a molecular weight of 262.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 107455464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).