N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine

C16H26FN — CID 81348514

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-5-12(3)11-16(6-2)18-13(4)14-7-9-15(17)10-8-14/h7-10,12-13,16,18H,5-6,11H2,1-4H3/t12?,13-,16?/m1/s1
InChIKeyFBDJLYPDXUZUJO-MFOWVQHXSA-N
MW251.39 g/mol
LogP4.69
Rot. Bonds7

About N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine (PubChem CID 81348514) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine
PubChem CID81348514
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C16H26FN/c1-5-12(3)11-16(6-2)18-13(4)14-7-9-15(17)10-8-14/h7-10,12-13,16,18H,5-6,11H2,1-4H3/t12?,13-,16?/m1/s1
InChIKeyFBDJLYPDXUZUJO-MFOWVQHXSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 43094653
1-fluoro-4-[(2S)-4-methylhexan-2-yl]benzene
CID 118425163
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
5-methyl-N-(1-pyridin-3-ylethyl)heptan-3-amine
CID 43203612
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
N-tert-butyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79437531
2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79441509
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405940
N-ethyl-2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79442362
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine (CID 81348514) is N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine is CCC(C)CC(CC)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine?
The InChIKey is FBDJLYPDXUZUJO-MFOWVQHXSA-N. The full InChI is InChI=1S/C16H26FN/c1-5-12(3)11-16(6-2)18-13(4)14-7-9-15(17)10-8-14/h7-10,12-13,16,18H,5-6,11H2,1-4H3/t12?,13-,16?/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine has a molecular weight of 251.39 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine is sourced from PubChem (CID 81348514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).