N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine

C17H28FN — CID 43098837

IUPACN-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(C)c1cccc(F)c1
InChIInChI=1S/C17H28FN/c1-12(2)9-17(10-13(3)4)19-14(5)15-7-6-8-16(18)11-15/h6-8,11-14,17,19H,9-10H2,1-5H3
InChIKeyMMDALPXDKWROHF-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.94
Rot. Bonds7

About N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine

N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine (PubChem CID 43098837) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
PubChem CID43098837
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(C)c1cccc(F)c1
InChIInChI=1S/C17H28FN/c1-12(2)9-17(10-13(3)4)19-14(5)15-7-6-8-16(18)11-15/h6-8,11-14,17,19H,9-10H2,1-5H3
InChIKeyMMDALPXDKWROHF-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 61247130
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 43094653
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
2-[1-(3-fluorophenyl)propylamino]-4-methylpentan-1-ol
CID 114871461
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 81369924
N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047182
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155543
N-[1-(2,5-difluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43674172

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine (CID 43098837) is N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine is CC(C)CC(CC(C)C)NC(C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine?
The InChIKey is MMDALPXDKWROHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-12(2)9-17(10-13(3)4)19-14(5)15-7-6-8-16(18)11-15/h6-8,11-14,17,19H,9-10H2,1-5H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine?
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine has a molecular weight of 265.42 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 43098837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).