N-(2-phenoxypropyl)butan-2-amine

C13H21NO — CID 54802133

IUPACN-(2-phenoxypropyl)butan-2-amine
SMILESCCC(C)NCC(C)Oc1ccccc1
InChIInChI=1S/C13H21NO/c1-4-11(2)14-10-12(3)15-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3
InChIKeyJXAQPDZUGXTHKW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.84
Rot. Bonds6

About N-(2-phenoxypropyl)butan-2-amine

N-(2-phenoxypropyl)butan-2-amine (PubChem CID 54802133) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(2-phenoxypropyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-phenoxypropyl)butan-2-amine
PubChem CID54802133
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(2-phenoxypropyl)butan-2-amine
SMILESCCC(C)NCC(C)Oc1ccccc1
InChIInChI=1S/C13H21NO/c1-4-11(2)14-10-12(3)15-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3
InChIKeyJXAQPDZUGXTHKW-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dimethylphenoxy)propyl]butan-2-amine
CID 55092854
N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 62597829
N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
CID 62572033
N-[2-(2-phenylethoxy)propyl]butan-2-amine
CID 115002170
N-[2-(4-methylphenoxy)propyl]pentan-2-amine
CID 55093091
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 102747539
N-[2-(4-bromophenoxy)propyl]pentan-2-amine
CID 62572592
N-(2-pyridin-3-yloxypropyl)pentan-2-amine
CID 62583825
N-[2-(4-ethylphenoxy)propyl]pentan-3-amine
CID 55088068
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919
[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
CID 25240077

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxypropyl)butan-2-amine?
The IUPAC name of N-(2-phenoxypropyl)butan-2-amine (CID 54802133) is N-(2-phenoxypropyl)butan-2-amine.
What is the SMILES notation for N-(2-phenoxypropyl)butan-2-amine?
The canonical SMILES for N-(2-phenoxypropyl)butan-2-amine is CCC(C)NCC(C)Oc1ccccc1.
What is the InChIKey of N-(2-phenoxypropyl)butan-2-amine?
The InChIKey is JXAQPDZUGXTHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(2)14-10-12(3)15-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3.
What are the key properties of N-(2-phenoxypropyl)butan-2-amine?
N-(2-phenoxypropyl)butan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxypropyl)butan-2-amine is sourced from PubChem (CID 54802133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).