2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine

C17H29FN2 — CID 62985637

IUPAC2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCNCC(C)N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-13(2)10-11-19-12-14(3)20(5)15(4)16-8-6-7-9-17(16)18/h6-9,13-15,19H,10-12H2,1-5H3
InChIKeyMTFCLLRQXPFCQN-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.84
Rot. Bonds8

About 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine

2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine (PubChem CID 62985637) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
PubChem CID62985637
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCNCC(C)N(C)C(C)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-13(2)10-11-19-12-14(3)20(5)15(4)16-8-6-7-9-17(16)18/h6-9,13-15,19H,10-12H2,1-5H3
InChIKeyMTFCLLRQXPFCQN-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.84
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

4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62984047
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62985101
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62980033
3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 64898179
1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
CID 115475277
1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980719
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
CID 113440610
3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine
CID 62979298
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine
CID 62978792
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63501756
2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide
CID 62985920

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine (CID 62985637) is 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine is CC(C)CCNCC(C)N(C)C(C)c1ccccc1F.
What is the InChIKey of 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine?
The InChIKey is MTFCLLRQXPFCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-13(2)10-11-19-12-14(3)20(5)15(4)16-8-6-7-9-17(16)18/h6-9,13-15,19H,10-12H2,1-5H3.
What are the key properties of 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine?
2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 62985637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).