N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine

C10H22FNO — CID 107446634

IUPACN-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine
SMILESCOCC(C)C(F)CNC(C)(C)C
InChIInChI=1S/C10H22FNO/c1-8(7-13-5)9(11)6-12-10(2,3)4/h8-9,12H,6-7H2,1-5H3
InChIKeyUGYZXVMDJCBEHC-UHFFFAOYSA-N
MW191.29 g/mol
LogP2.00
Rot. Bonds5

About N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine

N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine (PubChem CID 107446634) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine
PubChem CID107446634
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC NameN-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine
SMILESCOCC(C)C(F)CNC(C)(C)C
InChIInChI=1S/C10H22FNO/c1-8(7-13-5)9(11)6-12-10(2,3)4/h8-9,12H,6-7H2,1-5H3
InChIKeyUGYZXVMDJCBEHC-UHFFFAOYSA-N
XLogP2.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
N-[2-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62457300
N-(2-methoxypropyl)-2-methylpropan-2-amine
CID 62446177
N-(2-ethoxy-3-methoxypropyl)-2-methylpropan-2-amine
CID 103227770
N'-tert-butyl-2-fluoropropane-1,3-diamine
CID 130349943
N-tert-butyl-2-(1-methoxypropan-2-yloxy)pentan-1-amine
CID 83044032
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62447273
N-tert-butyl-2-fluoro-4-methylpentan-1-amine
CID 107446526
N-tert-butyl-2-methoxy-3-methylbutan-1-amine
CID 62445419
N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228941
N-[3-methoxy-2-(2-methylpentoxy)propyl]-2-methylpropan-2-amine
CID 103285718
1-N-tert-butyl-2-N-(1-cyclopropylethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225720

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine (CID 107446634) is N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine is COCC(C)C(F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine?
The InChIKey is UGYZXVMDJCBEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-8(7-13-5)9(11)6-12-10(2,3)4/h8-9,12H,6-7H2,1-5H3.
What are the key properties of N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine?
N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine has a molecular weight of 191.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 107446634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).