3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine

C16H27FN2 — CID 22958964

IUPAC3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
SMILESCNC(Cc1ccc(F)cc1)CN(C(C)C)C(C)C
InChIInChI=1S/C16H27FN2/c1-12(2)19(13(3)4)11-16(18-5)10-14-6-8-15(17)9-7-14/h6-9,12-13,16,18H,10-11H2,1-5H3
InChIKeyYOAGXDPAMRBMMJ-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.08
Rot. Bonds7

About 3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine

3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine (PubChem CID 22958964) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
PubChem CID22958964
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
SMILESCNC(Cc1ccc(F)cc1)CN(C(C)C)C(C)C
InChIInChI=1S/C16H27FN2/c1-12(2)19(13(3)4)11-16(18-5)10-14-6-8-15(17)9-7-14/h6-9,12-13,16,18H,10-11H2,1-5H3
InChIKeyYOAGXDPAMRBMMJ-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
CID 22958965
1-(4-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 62553272
4-ethyl-1-(4-fluorophenyl)-N-methylhexan-2-amine
CID 82923491
1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179136
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 107884509
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
1-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600154
1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824027
1-(4-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66051929
3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine
CID 61000357
1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66072440
1-(3-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62601306

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine?
The IUPAC name of 3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine (CID 22958964) is 3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine?
The canonical SMILES for 3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine is CNC(Cc1ccc(F)cc1)CN(C(C)C)C(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine?
The InChIKey is YOAGXDPAMRBMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-12(2)19(13(3)4)11-16(18-5)10-14-6-8-15(17)9-7-14/h6-9,12-13,16,18H,10-11H2,1-5H3.
What are the key properties of 3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine?
3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-N-methyl-1-N,1-N-di(propan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 22958964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).