N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine

C19H32FN — CID 43100534

IUPACN-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine
SMILESCCCCC(NC(C)CCCC(C)C)c1ccc(F)cc1
InChIInChI=1S/C19H32FN/c1-5-6-10-19(17-11-13-18(20)14-12-17)21-16(4)9-7-8-15(2)3/h11-16,19,21H,5-10H2,1-4H3
InChIKeyWEQVOFZSKIWWEF-UHFFFAOYSA-N
MW293.47 g/mol
LogP5.86
Rot. Bonds10

About N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine

N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine (PubChem CID 43100534) has the molecular formula C19H32FN and a molecular weight of 293.47 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine
PubChem CID43100534
Molecular FormulaC19H32FN
Molecular Weight293.47 g/mol
Exact Mass293.25
IUPAC NameN-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine
SMILESCCCCC(NC(C)CCCC(C)C)c1ccc(F)cc1
InChIInChI=1S/C19H32FN/c1-5-6-10-19(17-11-13-18(20)14-12-17)21-16(4)9-7-8-15(2)3/h11-16,19,21H,5-10H2,1-4H3
InChIKeyWEQVOFZSKIWWEF-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

2-N-[1-(4-fluorophenyl)pentyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945108
1-N,1-N-diethyl-2-N-[1-(4-fluorophenyl)pentyl]propane-1,2-diamine
CID 63478291
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
N-(1-phenylpentyl)octan-2-amine
CID 43791089
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
N-[1-(4-fluorophenyl)pentyl]hex-1-yn-3-amine
CID 106226041
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
1-(4-fluorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pentan-1-amine
CID 106281715
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
1-(4-fluorophenyl)undecylhydrazine
CID 105192861
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine (CID 43100534) is N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine is CCCCC(NC(C)CCCC(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine?
The InChIKey is WEQVOFZSKIWWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN/c1-5-6-10-19(17-11-13-18(20)14-12-17)21-16(4)9-7-8-15(2)3/h11-16,19,21H,5-10H2,1-4H3.
What are the key properties of N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine?
N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine has a molecular weight of 293.47 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)pentyl]-6-methylheptan-2-amine is sourced from PubChem (CID 43100534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).