N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine

C16H26FN3 — CID 63700949

IUPACN'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1ccc(F)cc1CNC1CC1
InChIInChI=1S/C16H26FN3/c1-19(2)9-4-10-20(3)16-8-5-14(17)11-13(16)12-18-15-6-7-15/h5,8,11,15,18H,4,6-7,9-10,12H2,1-3H3
InChIKeyZDWQMWSPQNPFSE-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.47
Rot. Bonds8

About N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63700949) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63700949
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1ccc(F)cc1CNC1CC1
InChIInChI=1S/C16H26FN3/c1-19(2)9-4-10-20(3)16-8-5-14(17)11-13(16)12-18-15-6-7-15/h5,8,11,15,18H,4,6-7,9-10,12H2,1-3H3
InChIKeyZDWQMWSPQNPFSE-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(cyclopropylamino)methyl]-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81056751
N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114847398
2-[(cyclopropylamino)methyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
CID 61422754
N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
5-[4-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
CID 107201198
2-[(cyclopropylamino)methyl]-N-ethyl-4-fluoro-N-phenylaniline
CID 43313811
5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol
CID 107201266
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81248054
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508
N-[(5-fluoro-2-propan-2-ylsulfanylphenyl)methyl]cyclopropanamine
CID 63807534
N-[[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]methyl]cyclopropanamine
CID 63807461
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
CID 60961049

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63700949) is N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)c1ccc(F)cc1CNC1CC1.
What is the InChIKey of N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is ZDWQMWSPQNPFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-19(2)9-4-10-20(3)16-8-5-14(17)11-13(16)12-18-15-6-7-15/h5,8,11,15,18H,4,6-7,9-10,12H2,1-3H3.
What are the key properties of N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 279.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63700949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).