N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine

C18H31FN2 — CID 115996740

IUPACN-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
SMILESCCCCCN(C)CC(C)C(NCC)c1ccccc1F
InChIInChI=1S/C18H31FN2/c1-5-7-10-13-21(4)14-15(3)18(20-6-2)16-11-8-9-12-17(16)19/h8-9,11-12,15,18,20H,5-7,10,13-14H2,1-4H3
InChIKeyFZWGTTADHWNTBF-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.23
Rot. Bonds10

About N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine

N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine (PubChem CID 115996740) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
PubChem CID115996740
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC NameN-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
SMILESCCCCCN(C)CC(C)C(NCC)c1ccccc1F
InChIInChI=1S/C18H31FN2/c1-5-7-10-13-21(4)14-15(3)18(20-6-2)16-11-8-9-12-17(16)19/h8-9,11-12,15,18,20H,5-7,10,13-14H2,1-4H3
InChIKeyFZWGTTADHWNTBF-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-ethoxyethyl)-N-ethyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115997007
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 115996955
N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679791
2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554579
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 115996957
1-(2-fluorophenyl)-N'-(3-methoxypropyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115996926
N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
CID 115996675
N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 115996717
N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 114282092
1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
CID 62645170
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 115996979

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine (CID 115996740) is N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine is CCCCCN(C)CC(C)C(NCC)c1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine?
The InChIKey is FZWGTTADHWNTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-5-7-10-13-21(4)14-15(3)18(20-6-2)16-11-8-9-12-17(16)19/h8-9,11-12,15,18,20H,5-7,10,13-14H2,1-4H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine?
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine is sourced from PubChem (CID 115996740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).