N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine

C18H29FN2 — CID 107455541

IUPACN-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine
SMILESC=CCN(Cc1cc(CNC(C)C)ccc1F)C(C)(C)C
InChIInChI=1S/C18H29FN2/c1-7-10-21(18(4,5)6)13-16-11-15(8-9-17(16)19)12-20-14(2)3/h7-9,11,14,20H,1,10,12-13H2,2-6H3
InChIKeyURPNXLXLFWIIQC-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.11
Rot. Bonds7

About N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine

N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine (PubChem CID 107455541) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine
PubChem CID107455541
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine
SMILESC=CCN(Cc1cc(CNC(C)C)ccc1F)C(C)(C)C
InChIInChI=1S/C18H29FN2/c1-7-10-21(18(4,5)6)13-16-11-15(8-9-17(16)19)12-20-14(2)3/h7-9,11,14,20H,1,10,12-13H2,2-6H3
InChIKeyURPNXLXLFWIIQC-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine with MolForge

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Related Compounds

N-[[3-[[ethyl(prop-2-enyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455498
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107455111
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455460
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107454209
2-[[5-[(tert-butylamino)methyl]-2-fluorophenyl]methyl-prop-2-enylamino]ethanol
CID 107455662
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 107455604
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyloxan-4-amine
CID 107454373
N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine
CID 158055117
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-prop-2-enylpropan-2-amine
CID 107455517
N-[[4-fluoro-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]propan-2-amine
CID 107458042
N-[(3-cyclopropyl-4-fluorophenyl)methyl]propan-2-amine
CID 62491870

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine?
The IUPAC name of N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine (CID 107455541) is N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine.
What is the SMILES notation for N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine?
The canonical SMILES for N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine is C=CCN(Cc1cc(CNC(C)C)ccc1F)C(C)(C)C.
What is the InChIKey of N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine?
The InChIKey is URPNXLXLFWIIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-7-10-21(18(4,5)6)13-16-11-15(8-9-17(16)19)12-20-14(2)3/h7-9,11,14,20H,1,10,12-13H2,2-6H3.
What are the key properties of N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine?
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine is sourced from PubChem (CID 107455541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).