N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine

C18H30FNO — CID 106457134

IUPACN-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
SMILESCC(C)COCCC(CNC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C18H30FNO/c1-14(2)13-21-10-9-16(12-20-18(3,4)5)15-7-6-8-17(19)11-15/h6-8,11,14,16,20H,9-10,12-13H2,1-5H3
InChIKeyKHWGPFBHTQRWAL-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.36
Rot. Bonds8

About N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine

N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine (PubChem CID 106457134) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
PubChem CID106457134
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC NameN-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
SMILESCC(C)COCCC(CNC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C18H30FNO/c1-14(2)13-21-10-9-16(12-20-18(3,4)5)15-7-6-8-17(19)11-15/h6-8,11,14,16,20H,9-10,12-13H2,1-5H3
InChIKeyKHWGPFBHTQRWAL-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79441221
2-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106457005
2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457132
N-tert-butyl-2-(3-fluorophenyl)-5-methoxy-5-methylhexan-1-amine
CID 103036910
N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108475
2-(3-fluorophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79432439
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457125
2-(3-fluorophenyl)-5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 79440050
N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
CID 63475905
N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79440289

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine (CID 106457134) is N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine is CC(C)COCCC(CNC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine?
The InChIKey is KHWGPFBHTQRWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-14(2)13-21-10-9-16(12-20-18(3,4)5)15-7-6-8-17(19)11-15/h6-8,11,14,16,20H,9-10,12-13H2,1-5H3.
What are the key properties of N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine?
N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.36, 8 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)-4-(2-methylpropoxy)butan-1-amine is sourced from PubChem (CID 106457134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).