N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine

C18H29FN2 — CID 63633032

IUPACN'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCCNC(CCN(C)CC1CCCC1)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-3-20-18(16-10-6-7-11-17(16)19)12-13-21(2)14-15-8-4-5-9-15/h6-7,10-11,15,18,20H,3-5,8-9,12-14H2,1-2H3
InChIKeyUYJAJIVMPSOQKA-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.99
Rot. Bonds8

About N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine

N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 63633032) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID63633032
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCCNC(CCN(C)CC1CCCC1)c1ccccc1F
InChIInChI=1S/C18H29FN2/c1-3-20-18(16-10-6-7-11-17(16)19)12-13-21(2)14-15-8-4-5-9-15/h6-7,10-11,15,18,20H,3-5,8-9,12-14H2,1-2H3
InChIKeyUYJAJIVMPSOQKA-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Analyze N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-N'-(cyclopentylmethyl)-N-ethyl-N'-methylpropane-1,3-diamine
CID 63633029
N'-cyclopropyl-N-ethyl-1-(2-fluorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62642973
N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62642941
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644486
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62643860
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
CID 115827795
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
N-(cyclohexylmethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676916
N-ethyl-N'-methyl-N'-(oxan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62611613
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 64521861
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 63633032) is N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine is CCNC(CCN(C)CC1CCCC1)c1ccccc1F.
What is the InChIKey of N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is UYJAJIVMPSOQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-20-18(16-10-6-7-11-17(16)19)12-13-21(2)14-15-8-4-5-9-15/h6-7,10-11,15,18,20H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine?
N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 292.44 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 63633032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).