N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine

C18H29FN2 — CID 107401542

IUPACN'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC1CCC1)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-3-20-18(16-9-6-10-17(19)13-16)11-12-21(4-2)14-15-7-5-8-15/h6,9-10,13,15,18,20H,3-5,7-8,11-12,14H2,1-2H3
InChIKeyXSMSYOQWOFWGML-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.99
Rot. Bonds9

About N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine

N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine (PubChem CID 107401542) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
PubChem CID107401542
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC1CCC1)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-3-20-18(16-9-6-10-17(19)13-16)11-12-21(4-2)14-15-7-5-8-15/h6,9-10,13,15,18,20H,3-5,7-8,11-12,14H2,1-2H3
InChIKeyXSMSYOQWOFWGML-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62642941
N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644965
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107401588
1-(3-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114603814
1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114521865
N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644204
1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63633029
2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
CID 55099062
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine
CID 62643649
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine (CID 107401542) is N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine is CCNC(CCN(CC)CC1CCC1)c1cccc(F)c1.
What is the InChIKey of N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine?
The InChIKey is XSMSYOQWOFWGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-20-18(16-9-6-10-17(19)13-16)11-12-21(4-2)14-15-7-5-8-15/h6,9-10,13,15,18,20H,3-5,7-8,11-12,14H2,1-2H3.
What are the key properties of N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine?
N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine has a molecular weight of 292.44 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 107401542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).