2-(4-fluorophenyl)-6-methylheptan-1-amine

C14H22FN — CID 83169540

IUPAC2-(4-fluorophenyl)-6-methylheptan-1-amine
SMILESCC(C)CCCC(CN)c1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-11(2)4-3-5-13(10-16)12-6-8-14(15)9-7-12/h6-9,11,13H,3-5,10,16H2,1-2H3
InChIKeyZTXNHEAQGCBLHX-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.69
Rot. Bonds6

About 2-(4-fluorophenyl)-6-methylheptan-1-amine

2-(4-fluorophenyl)-6-methylheptan-1-amine (PubChem CID 83169540) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methylheptan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methylheptan-1-amine
PubChem CID83169540
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name2-(4-fluorophenyl)-6-methylheptan-1-amine
SMILESCC(C)CCCC(CN)c1ccc(F)cc1
InChIInChI=1S/C14H22FN/c1-11(2)4-3-5-13(10-16)12-6-8-14(15)9-7-12/h6-9,11,13H,3-5,10,16H2,1-2H3
InChIKeyZTXNHEAQGCBLHX-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)hexan-1-amine
CID 79442321
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
2-(4-fluorophenyl)-4-(3-methylbutoxy)butan-1-amine
CID 79442251
N-tert-butyl-2-(4-fluorophenyl)-6-methylheptan-1-amine
CID 83168684
2-(4-fluorophenyl)-N',N'-dimethylbutane-1,4-diamine
CID 82077975
2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine
CID 83169177
2-(4-fluorophenyl)-4-methylhexan-1-amine
CID 79441509
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
3-amino-2-(4-fluorophenyl)propane-1-thiol
CID 117245030
2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275
4-(4-fluorophenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138081
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 91810279

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methylheptan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-6-methylheptan-1-amine (CID 83169540) is 2-(4-fluorophenyl)-6-methylheptan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methylheptan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-6-methylheptan-1-amine is CC(C)CCCC(CN)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methylheptan-1-amine?
The InChIKey is ZTXNHEAQGCBLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-11(2)4-3-5-13(10-16)12-6-8-14(15)9-7-12/h6-9,11,13H,3-5,10,16H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-6-methylheptan-1-amine?
2-(4-fluorophenyl)-6-methylheptan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methylheptan-1-amine is sourced from PubChem (CID 83169540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).