1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine

C18H31FN2 — CID 62977924

IUPAC1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine
SMILESCCCNC(C)CCCCN(C)C(C)c1ccccc1F
InChIInChI=1S/C18H31FN2/c1-5-13-20-15(2)10-8-9-14-21(4)16(3)17-11-6-7-12-18(17)19/h6-7,11-12,15-16,20H,5,8-10,13-14H2,1-4H3
InChIKeyINUNPNBVHMTWEB-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.38
Rot. Bonds10

About 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine

1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine (PubChem CID 62977924) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine.

Molecular Properties

Compound Name1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine
PubChem CID62977924
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine
SMILESCCCNC(C)CCCCN(C)C(C)c1ccccc1F
InChIInChI=1S/C18H31FN2/c1-5-13-20-15(2)10-8-9-14-21(4)16(3)17-11-6-7-12-18(17)19/h6-7,11-12,15-16,20H,5,8-10,13-14H2,1-4H3
InChIKeyINUNPNBVHMTWEB-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
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

1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62978094
1-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62977925
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62980033
4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
CID 106799773
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505692
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62985101
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62984584
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62985120
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
2-[3-[1-(2-fluorophenyl)ethyl-methylamino]propyl]aniline
CID 107274465

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine?
The IUPAC name of 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine (CID 62977924) is 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine.
What is the SMILES notation for 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine?
The canonical SMILES for 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine is CCCNC(C)CCCCN(C)C(C)c1ccccc1F.
What is the InChIKey of 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine?
The InChIKey is INUNPNBVHMTWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-5-13-20-15(2)10-8-9-14-21(4)16(3)17-11-6-7-12-18(17)19/h6-7,11-12,15-16,20H,5,8-10,13-14H2,1-4H3.
What are the key properties of 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine?
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine is sourced from PubChem (CID 62977924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).