N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine

C16H26FNO — CID 107170796

IUPACN-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
SMILESCc1ccc(OC(C)CCCNC(C)(C)C)cc1F
InChIInChI=1S/C16H26FNO/c1-12-8-9-14(11-15(12)17)19-13(2)7-6-10-18-16(3,4)5/h8-9,11,13,18H,6-7,10H2,1-5H3
InChIKeyQNIJGZKPNBQDHN-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.07
Rot. Bonds6

About N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine

N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine (PubChem CID 107170796) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
PubChem CID107170796
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
SMILESCc1ccc(OC(C)CCCNC(C)(C)C)cc1F
InChIInChI=1S/C16H26FNO/c1-12-8-9-14(11-15(12)17)19-13(2)7-6-10-18-16(3,4)5/h8-9,11,13,18H,6-7,10H2,1-5H3
InChIKeyQNIJGZKPNBQDHN-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.07
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-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine
CID 107170874
N-tert-butyl-4-(2-methylphenoxy)pentan-1-amine
CID 55076647
N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 107170842
4-(2-bromo-4-fluorophenoxy)-N-tert-butylpentan-1-amine
CID 62451485
4-(3-fluoro-4-methylphenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 107171567
N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
CID 107170738
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine
CID 62485518
N-tert-butyl-4-(5-methyl-2-propan-2-ylphenoxy)pentan-1-amine
CID 62452811
N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine
CID 146332090

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine (CID 107170796) is N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine is Cc1ccc(OC(C)CCCNC(C)(C)C)cc1F.
What is the InChIKey of N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine?
The InChIKey is QNIJGZKPNBQDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-12-8-9-14(11-15(12)17)19-13(2)7-6-10-18-16(3,4)5/h8-9,11,13,18H,6-7,10H2,1-5H3.
What are the key properties of N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine?
N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine is sourced from PubChem (CID 107170796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).