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

C17H28FN — CID 83169392

IUPACN-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
SMILESCCNCC(CCCC(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C17H28FN/c1-4-19-13-16(7-5-6-14(2)3)12-15-8-10-17(18)11-9-15/h8-11,14,16,19H,4-7,12-13H2,1-3H3
InChIKeyHEPOGAPEXWSGSI-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.42
Rot. Bonds9

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

N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine (PubChem CID 83169392) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
PubChem CID83169392
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
SMILESCCNCC(CCCC(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C17H28FN/c1-4-19-13-16(7-5-6-14(2)3)12-15-8-10-17(18)11-9-15/h8-11,14,16,19H,4-7,12-13H2,1-3H3
InChIKeyHEPOGAPEXWSGSI-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine
CID 63520998
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 113474166
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63522958
2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
CID 63522242
5-ethylsulfanyl-2-[(4-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 113474165
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
CID 104649200
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 62516078
1-(2,8-dimethylnonyl)-4-fluorobenzene
CID 162726877
N-ethyl-2-[(4-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139010

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine?
The IUPAC name of N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine (CID 83169392) is N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine.
What is the SMILES notation for N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine?
The canonical SMILES for N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine is CCNCC(CCCC(C)C)Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine?
The InChIKey is HEPOGAPEXWSGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-4-19-13-16(7-5-6-14(2)3)12-15-8-10-17(18)11-9-15/h8-11,14,16,19H,4-7,12-13H2,1-3H3.
What are the key properties of N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine?
N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine is sourced from PubChem (CID 83169392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).