N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine

C19H32FN — CID 43735025

IUPACN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine
SMILESCCCCCCCCNC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C19H32FN/c1-5-6-7-8-9-10-15-21-18(19(2,3)4)16-11-13-17(20)14-12-16/h11-14,18,21H,5-10,15H2,1-4H3
InChIKeyQRPXRBXNOPOMJF-UHFFFAOYSA-N
MW293.47 g/mol
LogP5.86
Rot. Bonds9

About N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine (PubChem CID 43735025) has the molecular formula C19H32FN and a molecular weight of 293.47 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine
PubChem CID43735025
Molecular FormulaC19H32FN
Molecular Weight293.47 g/mol
Exact Mass293.25
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine
SMILESCCCCCCCCNC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C19H32FN/c1-5-6-7-8-9-10-15-21-18(19(2,3)4)16-11-13-17(20)14-12-16/h11-14,18,21H,5-10,15H2,1-4H3
InChIKeyQRPXRBXNOPOMJF-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-heptylaniline
CID 43129312
2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
CID 43735061
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 94197027
1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene
CID 21304853
2-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]propane-1,2-diamine
CID 103388771
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 63446121
N'-dodecyl-1-(4-fluorophenyl)propane-1,3-diamine
CID 10088401
N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 63446253
[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol
CID 110009379
1-(4-fluorophenyl)-3-(heptylamino)propan-1-ol;hydrochloride
CID 19892143
1-(4-fluorophenyl)-N'-hexadecylpropane-1,3-diamine;dihydrochloride
CID 19996168
1-(4-fluorophenyl)-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 62329574

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine (CID 43735025) is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine is CCCCCCCCNC(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine?
The InChIKey is QRPXRBXNOPOMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN/c1-5-6-7-8-9-10-15-21-18(19(2,3)4)16-11-13-17(20)14-12-16/h11-14,18,21H,5-10,15H2,1-4H3.
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine?
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine has a molecular weight of 293.47 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine is sourced from PubChem (CID 43735025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).