azane;propoxybenzene

C9H15NO — CID 66667480

IUPACazane;propoxybenzene
SMILESCCCOc1ccccc1.N
InChIInChI=1S/C9H12O.H3N/c1-2-8-10-9-6-4-3-5-7-9;/h3-7H,2,8H2,1H3;1H3
InChIKeyGTRWRGQGOYHDMY-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.64
Rot. Bonds3

About azane;propoxybenzene

azane;propoxybenzene (PubChem CID 66667480) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is azane;propoxybenzene.

Molecular Properties

Compound Nameazane;propoxybenzene
PubChem CID66667480
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Nameazane;propoxybenzene
SMILESCCCOc1ccccc1.N
InChIInChI=1S/C9H12O.H3N/c1-2-8-10-9-6-4-3-5-7-9;/h3-7H,2,8H2,1H3;1H3
InChIKeyGTRWRGQGOYHDMY-UHFFFAOYSA-N
XLogP2.64
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 161224902
CID 161224902
ethoxybenzene;propoxybenzene
CID 67747691
propoxybenzene;sulfur dioxide
CID 174403655
magnesium;ethane;propoxybenzene;bromide
CID 175337245
pentoxybenzene;undecane
CID 174778179
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
1-phenoxy-4-(3-propoxypropoxy)benzene
CID 14353104
[phenyl-(4-propoxyphenyl)azaniumylidene]azanide
CID 140987604
azane;pentoxybenzene;sulfuric acid
CID 173020031
propyl 3-phenoxypropanoate
CID 43389568

Frequently Asked Questions

What is the IUPAC name of azane;propoxybenzene?
The IUPAC name of azane;propoxybenzene (CID 66667480) is azane;propoxybenzene.
What is the SMILES notation for azane;propoxybenzene?
The canonical SMILES for azane;propoxybenzene is CCCOc1ccccc1.N.
What is the InChIKey of azane;propoxybenzene?
The InChIKey is GTRWRGQGOYHDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.H3N/c1-2-8-10-9-6-4-3-5-7-9;/h3-7H,2,8H2,1H3;1H3.
What are the key properties of azane;propoxybenzene?
azane;propoxybenzene has a molecular weight of 153.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propoxybenzene is sourced from PubChem (CID 66667480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).