N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine

C18H30FNO — CID 103036910

IUPACN-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine
SMILESCOC(C)(C)CCC(CNC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C18H30FNO/c1-17(2,3)20-13-15(10-11-18(4,5)21-6)14-8-7-9-16(19)12-14/h7-9,12,15,20H,10-11,13H2,1-6H3
InChIKeyNDHSCGBAKVJCPF-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.50
Rot. Bonds7

About N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine

N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine (PubChem CID 103036910) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine
PubChem CID103036910
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC NameN-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine
SMILESCOC(C)(C)CCC(CNC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C18H30FNO/c1-17(2,3)20-13-15(10-11-18(4,5)21-6)14-8-7-9-16(19)12-14/h7-9,12,15,20H,10-11,13H2,1-6H3
InChIKeyNDHSCGBAKVJCPF-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79441221
N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457134
1-(3-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031125
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 79440050
2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
CID 103036915
N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108475
2-(3-fluorophenyl)-2-(3-methoxy-3-methylbutoxy)ethanamine
CID 106665020
N-tert-butyl-4-(3-fluorophenyl)-2-methylbutan-1-amine
CID 64663958
2-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
CID 63475905
2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine
CID 103036645

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine?
The IUPAC name of N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine (CID 103036910) is N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine is COC(C)(C)CCC(CNC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine?
The InChIKey is NDHSCGBAKVJCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-17(2,3)20-13-15(10-11-18(4,5)21-6)14-8-7-9-16(19)12-14/h7-9,12,15,20H,10-11,13H2,1-6H3.
What are the key properties of N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine?
N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine is sourced from PubChem (CID 103036910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).