N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine

C16H25FN2 — CID 62642941

IUPACN'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCCNC(CCN(C)CC1CC1)c1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-3-18-16(14-5-4-6-15(17)11-14)9-10-19(2)12-13-7-8-13/h4-6,11,13,16,18H,3,7-10,12H2,1-2H3
InChIKeyAJNPEHILNXNBCI-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.21
Rot. Bonds8

About N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine

N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 62642941) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID62642941
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCCNC(CCN(C)CC1CC1)c1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-3-18-16(14-5-4-6-15(17)11-14)9-10-19(2)12-13-7-8-13/h4-6,11,13,16,18H,3,7-10,12H2,1-2H3
InChIKeyAJNPEHILNXNBCI-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'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 107401542
N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644204
2-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]ethanol
CID 55099062
1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63633029
1-[[3-(ethylamino)-3-(3-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79380126
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274437
N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 64521664
N-ethyl-1-(3-fluorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645347
N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63633032
N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644965
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 62642941) is N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine is CCNC(CCN(C)CC1CC1)c1cccc(F)c1.
What is the InChIKey of N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is AJNPEHILNXNBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-18-16(14-5-4-6-15(17)11-14)9-10-19(2)12-13-7-8-13/h4-6,11,13,16,18H,3,7-10,12H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine?
N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-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'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62642941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).