2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline

C18H23FN2 — CID 62434557

IUPAC2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
SMILESCC(C)NCc1ccc(CN(C)c2ccccc2F)cc1
InChIInChI=1S/C18H23FN2/c1-14(2)20-12-15-8-10-16(11-9-15)13-21(3)18-7-5-4-6-17(18)19/h4-11,14,20H,12-13H2,1-3H3
InChIKeyZHKTXVUSMWSXPV-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.96
Rot. Bonds6

About 2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline

2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline (PubChem CID 62434557) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
PubChem CID62434557
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
SMILESCC(C)NCc1ccc(CN(C)c2ccccc2F)cc1
InChIInChI=1S/C18H23FN2/c1-14(2)20-12-15-8-10-16(11-9-15)13-21(3)18-7-5-4-6-17(18)19/h4-11,14,20H,12-13H2,1-3H3
InChIKeyZHKTXVUSMWSXPV-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63552892
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
N-[(4-bromophenyl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 63553389
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-fluoro-N-methylaniline
CID 105347406
N-(2-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62295514
N-[[4-(2-fluorophenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63805247
2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
CID 107454661
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline
CID 43296099
N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283918
2-[2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]anilino]-N,N-dimethylacetamide
CID 43375206
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563622

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline (CID 62434557) is 2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline is CC(C)NCc1ccc(CN(C)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline?
The InChIKey is ZHKTXVUSMWSXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-14(2)20-12-15-8-10-16(11-9-15)13-21(3)18-7-5-4-6-17(18)19/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of 2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline?
2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline has a molecular weight of 286.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline is sourced from PubChem (CID 62434557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).