N-[2-(4-methylphenoxy)propyl]pentan-2-amine

C15H25NO — CID 55093091

IUPACN-[2-(4-methylphenoxy)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)Oc1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-5-6-13(3)16-11-14(4)17-15-9-7-12(2)8-10-15/h7-10,13-14,16H,5-6,11H2,1-4H3
InChIKeyFBKIRFZNCZQQJS-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.54
Rot. Bonds7

About N-[2-(4-methylphenoxy)propyl]pentan-2-amine

N-[2-(4-methylphenoxy)propyl]pentan-2-amine (PubChem CID 55093091) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)propyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)propyl]pentan-2-amine
PubChem CID55093091
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[2-(4-methylphenoxy)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)Oc1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-5-6-13(3)16-11-14(4)17-15-9-7-12(2)8-10-15/h7-10,13-14,16H,5-6,11H2,1-4H3
InChIKeyFBKIRFZNCZQQJS-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenoxy)propyl]pentan-2-amine
CID 62572592
N-[2-(3-methyl-4-propan-2-ylphenoxy)propyl]pentan-2-amine
CID 63505904
N-[2-(3,5-difluorophenoxy)propyl]pentan-2-amine
CID 62785273
N-(2-pyridin-3-yloxypropyl)pentan-2-amine
CID 62583825
1-(4-methylphenyl)-2-(pentan-2-ylamino)ethanol
CID 138485794
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
2-amino-N-[2-(4-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119290513
(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 9179988
N-[2-(2,5-difluorophenoxy)propyl]pentan-2-amine
CID 63272991
N-[2-(4-methylphenoxy)propyl]-4-propoxyaniline
CID 54799010
N-[2-(3,4-dimethylphenoxy)propyl]butan-2-amine
CID 55092854

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)propyl]pentan-2-amine?
The IUPAC name of N-[2-(4-methylphenoxy)propyl]pentan-2-amine (CID 55093091) is N-[2-(4-methylphenoxy)propyl]pentan-2-amine.
What is the SMILES notation for N-[2-(4-methylphenoxy)propyl]pentan-2-amine?
The canonical SMILES for N-[2-(4-methylphenoxy)propyl]pentan-2-amine is CCCC(C)NCC(C)Oc1ccc(C)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)propyl]pentan-2-amine?
The InChIKey is FBKIRFZNCZQQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-6-13(3)16-11-14(4)17-15-9-7-12(2)8-10-15/h7-10,13-14,16H,5-6,11H2,1-4H3.
What are the key properties of N-[2-(4-methylphenoxy)propyl]pentan-2-amine?
N-[2-(4-methylphenoxy)propyl]pentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)propyl]pentan-2-amine is sourced from PubChem (CID 55093091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).