N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine

C17H26FNO — CID 66227133

IUPACN-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine
SMILESCC(C)(C)CCOC(CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-17(2,3)10-11-20-16(12-19-15-8-9-15)13-4-6-14(18)7-5-13/h4-7,15-16,19H,8-12H2,1-3H3
InChIKeyUEBCTWDYSNGRSA-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.07
Rot. Bonds7

About N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine

N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine (PubChem CID 66227133) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine
PubChem CID66227133
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine
SMILESCC(C)(C)CCOC(CNC1CC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-17(2,3)10-11-20-16(12-19-15-8-9-15)13-4-6-14(18)7-5-13/h4-7,15-16,19H,8-12H2,1-3H3
InChIKeyUEBCTWDYSNGRSA-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-butoxy-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 62106947
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62107517
N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 106667054
N-[2-phenyl-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82959482
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
N-[2-(4-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204926
N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
CID 79438193
N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine
CID 66226160
N-[2-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethyl]cyclopropanamine
CID 62108597
N-[2-[4-(3,3-dimethylbutoxymethyl)phenyl]propyl]cyclopropanamine
CID 105351062
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82957812

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine (CID 66227133) is N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine is CC(C)(C)CCOC(CNC1CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine?
The InChIKey is UEBCTWDYSNGRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-17(2,3)10-11-20-16(12-19-15-8-9-15)13-4-6-14(18)7-5-13/h4-7,15-16,19H,8-12H2,1-3H3.
What are the key properties of N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine?
N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine has a molecular weight of 279.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 66227133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).