N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

C18H32NO2P — CID 59518292

IUPACN-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCOP(OCCCCCc1ccccc1)N(C(C)C)C(C)C
InChIInChI=1S/C18H32NO2P/c1-16(2)19(17(3)4)22(20-5)21-15-11-7-10-14-18-12-8-6-9-13-18/h6,8-9,12-13,16-17H,7,10-11,14-15H2,1-5H3
InChIKeyCSNQMFONSGIOCO-UHFFFAOYSA-N
MW325.43 g/mol
LogP5.41
Rot. Bonds11

About N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine

N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 59518292) has the molecular formula C18H32NO2P and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID59518292
Molecular FormulaC18H32NO2P
Molecular Weight325.43 g/mol
Exact Mass325.22
IUPAC NameN-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCOP(OCCCCCc1ccccc1)N(C(C)C)C(C)C
InChIInChI=1S/C18H32NO2P/c1-16(2)19(17(3)4)22(20-5)21-15-11-7-10-14-18-12-8-6-9-13-18/h6,8-9,12-13,16-17H,7,10-11,14-15H2,1-5H3
InChIKeyCSNQMFONSGIOCO-UHFFFAOYSA-N
XLogP5.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-methoxyheptylbenzene
CID 54276867
6-propan-2-yloxyhexylbenzene
CID 57124523
3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione
CID 67922072
8-(8-phenyloctoxy)octylbenzene
CID 56628536
12-(3-propan-2-yloxypropoxy)dodecylbenzene
CID 170688779
6-ethoxyhexylbenzene
CID 54300935
4-phenylbutylbenzene
CID 141301927
5-pentoxypentylbenzene
CID 19046566
10-butoxydecylbenzene
CID 151496754
14-propoxytetradecylbenzene
CID 126562833
diethyl(3-phenylpropoxy)phosphane
CID 141159247
4-octadecoxybutylbenzene
CID 70977182

Frequently Asked Questions

What is the IUPAC name of N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine (CID 59518292) is N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is COP(OCCCCCc1ccccc1)N(C(C)C)C(C)C.
What is the InChIKey of N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is CSNQMFONSGIOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32NO2P/c1-16(2)19(17(3)4)22(20-5)21-15-11-7-10-14-18-12-8-6-9-13-18/h6,8-9,12-13,16-17H,7,10-11,14-15H2,1-5H3.
What are the key properties of N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 325.43 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxy(5-phenylpentoxy)phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 59518292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).