N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine

C15H25FN2 — CID 62995128

IUPACN',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-4-18(5-2)11-10-17-13(3)12-14-6-8-15(16)9-7-14/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyOZTYQNIBQYGSMR-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.69
Rot. Bonds8

About N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine

N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine (PubChem CID 62995128) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
PubChem CID62995128
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H25FN2/c1-4-18(5-2)11-10-17-13(3)12-14-6-8-15(16)9-7-14/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyOZTYQNIBQYGSMR-UHFFFAOYSA-N
XLogP2.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopentyl-N-[1-(4-fluorophenyl)propan-2-yl]-N'-methylethane-1,2-diamine
CID 115717758
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706199
1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717047
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
N',N'-diethyl-N-[[4-(4-fluorophenyl)phenyl]methyl]ethane-1,2-diamine
CID 143241921
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034
2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol
CID 82313119
N',N'-diethyl-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294526
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine (CID 62995128) is N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine is CCN(CC)CCNC(C)Cc1ccc(F)cc1.
What is the InChIKey of N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine?
The InChIKey is OZTYQNIBQYGSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-4-18(5-2)11-10-17-13(3)12-14-6-8-15(16)9-7-14/h6-9,13,17H,4-5,10-12H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine?
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 62995128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).