4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline

C18H23FN2 — CID 62436761

IUPAC4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
SMILESCCCNCc1ccc(CN(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H23FN2/c1-3-12-20-13-15-4-6-16(7-5-15)14-21(2)18-10-8-17(19)9-11-18/h4-11,20H,3,12-14H2,1-2H3
InChIKeyDSQLDEDZLVOJJW-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.96
Rot. Bonds7

About 4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline

4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline (PubChem CID 62436761) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
PubChem CID62436761
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
SMILESCCCNCc1ccc(CN(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H23FN2/c1-3-12-20-13-15-4-6-16(7-5-15)14-21(2)18-10-8-17(19)9-11-18/h4-11,20H,3,12-14H2,1-2H3
InChIKeyDSQLDEDZLVOJJW-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62436050
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(propylaminomethyl)aniline
CID 63551376
N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62293723
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17123265
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62431655
5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533243
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
N-(3-methoxypropyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63007852
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline (CID 62436761) is 4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline is CCCNCc1ccc(CN(C)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline?
The InChIKey is DSQLDEDZLVOJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-12-20-13-15-4-6-16(7-5-15)14-21(2)18-10-8-17(19)9-11-18/h4-11,20H,3,12-14H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline?
4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline has a molecular weight of 286.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline is sourced from PubChem (CID 62436761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).