N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C14H24FN3 — CID 63331189

IUPACN'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1c(N)cccc1F
InChIInChI=1S/C14H24FN3/c1-4-8-18(10-9-17(2)3)11-12-13(15)6-5-7-14(12)16/h5-7H,4,8-11,16H2,1-3H3
InChIKeyQBOPNAYPKCXFAF-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.18
Rot. Bonds7

About N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 63331189) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID63331189
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC NameN'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1c(N)cccc1F
InChIInChI=1S/C14H24FN3/c1-4-8-18(10-9-17(2)3)11-12-13(15)6-5-7-14(12)16/h5-7H,4,8-11,16H2,1-3H3
InChIKeyQBOPNAYPKCXFAF-UHFFFAOYSA-N
XLogP2.18
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethyl(2-methylpropyl)amino]methyl]-3-fluoroaniline
CID 63330668
3-fluoro-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 63331103
3-[(2-amino-6-fluorophenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 63330764
N'-[(2,6-difluorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2059067
3-[(2-amino-6-fluorophenyl)methyl-methylamino]butanenitrile
CID 63330722
azane;2-ethyl-3-fluoroaniline
CID 68647628
3-fluoro-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 63330927
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 63331319
butane;2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]-3-fluorophenol;ethane
CID 143170289
2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline
CID 63330884
3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol
CID 107733913
3-fluoro-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]aniline
CID 112657608

Frequently Asked Questions

What is the IUPAC name of N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 63331189) is N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)Cc1c(N)cccc1F.
What is the InChIKey of N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is QBOPNAYPKCXFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-4-8-18(10-9-17(2)3)11-12-13(15)6-5-7-14(12)16/h5-7H,4,8-11,16H2,1-3H3.
What are the key properties of N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 253.36 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 63331189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).