N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline

C14H23N2OP3 — CID 145203670

IUPACN,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(C2=CCN(P)CC2)ccc1N(P)P
InChIInChI=1S/C14H23N2OP3/c1-10(2)17-14-9-12(3-4-13(14)16(19)20)11-5-7-15(18)8-6-11/h3-5,9-10H,6-8,18-20H2,1-2H3
InChIKeyASEDDNYJGFKSMP-UHFFFAOYSA-N
MW328.27 g/mol
LogP3.74
Rot. Bonds4

About N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline

N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline (PubChem CID 145203670) has the molecular formula C14H23N2OP3 and a molecular weight of 328.27 g/mol. Its IUPAC name is N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline.

Molecular Properties

Compound NameN,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline
PubChem CID145203670
Molecular FormulaC14H23N2OP3
Molecular Weight328.27 g/mol
Exact Mass328.10
IUPAC NameN,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(C2=CCN(P)CC2)ccc1N(P)P
InChIInChI=1S/C14H23N2OP3/c1-10(2)17-14-9-12(3-4-13(14)16(19)20)11-5-7-15(18)8-6-11/h3-5,9-10H,6-8,18-20H2,1-2H3
InChIKeyASEDDNYJGFKSMP-UHFFFAOYSA-N
XLogP3.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine
CID 118239176
[4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane
CID 145237067
1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 118221082
1-methoxy-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-propan-2-yloxybenzene
CID 101106893
2-methoxy-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 141454070
1-tert-butyl-4-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine
CID 130207875
5-(aminomethyl)-2-propan-2-yloxy-4-[1-(2,2,2-trichloroethyl)-3,6-dihydro-2H-pyridin-4-yl]aniline
CID 174974543
4-(7,7-dimethyl-6,8-dihydro-5H-naphthalen-2-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 167678389
3-[[4-[4-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
CID 71472280
1-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 67948856
4-(4-propan-2-yloxyphenyl)-2,3,6,7-tetrahydro-1H-azepine
CID 82289346
4-(4-fluorophenyl)-1-propan-2-ylsulfonyl-3,6-dihydro-2H-pyridine
CID 92580442

Frequently Asked Questions

What is the IUPAC name of N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline?
The IUPAC name of N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline (CID 145203670) is N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline.
What is the SMILES notation for N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline?
The canonical SMILES for N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline is CC(C)Oc1cc(C2=CCN(P)CC2)ccc1N(P)P.
What is the InChIKey of N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline?
The InChIKey is ASEDDNYJGFKSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N2OP3/c1-10(2)17-14-9-12(3-4-13(14)16(19)20)11-5-7-15(18)8-6-11/h3-5,9-10H,6-8,18-20H2,1-2H3.
What are the key properties of N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline?
N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline has a molecular weight of 328.27 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(phosphanyl)-4-(1-phosphanyl-3,6-dihydro-2H-pyridin-4-yl)-2-propan-2-yloxyaniline is sourced from PubChem (CID 145203670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).