N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine

C16H25FN2 — CID 43761828

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H25FN2/c1-3-19(4-2)12-11-18-16(13-5-6-13)14-7-9-15(17)10-8-14/h7-10,13,16,18H,3-6,11-12H2,1-2H3
InChIKeyUVFGPSCFOAXCPW-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.21
Rot. Bonds8

About N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine

N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 43761828) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
PubChem CID43761828
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H25FN2/c1-3-19(4-2)12-11-18-16(13-5-6-13)14-7-9-15(17)10-8-14/h7-10,13,16,18H,3-6,11-12H2,1-2H3
InChIKeyUVFGPSCFOAXCPW-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-N',N'-diethylethane-1,2-diamine
CID 43761796
N-[cyclopropyl-(4-methylphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 43763166
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-diethylpropanamide
CID 60926634
N',N'-diethyl-N-[1-(4-fluorophenyl)propyl]ethane-1,2-diamine
CID 43194034
N-[(4-fluorophenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65412981
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
CID 54934632
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771413
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
CID 107270462
2-[2-(diethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-ol
CID 82313119
N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 43767716
N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103910587
N-[cyclopropyl-(4-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 113350066

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine (CID 43761828) is N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is UVFGPSCFOAXCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-19(4-2)12-11-18-16(13-5-6-13)14-7-9-15(17)10-8-14/h7-10,13,16,18H,3-6,11-12H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine?
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 43761828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).