N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine

C19H28NO2P — CID 134431150

IUPACN-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine
SMILESCOc1ccc(C)cc1OC1CC(/C(P)=N/C2CCCCC2)C1
InChIInChI=1S/C19H28NO2P/c1-13-8-9-17(21-2)18(10-13)22-16-11-14(12-16)19(23)20-15-6-4-3-5-7-15/h8-10,14-16H,3-7,11-12,23H2,1-2H3/b20-19-
InChIKeyIPWRNLAIZYECGI-VXPUYCOJSA-N
MW333.41 g/mol
LogP4.77
Rot. Bonds5

About N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine

N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine (PubChem CID 134431150) has the molecular formula C19H28NO2P and a molecular weight of 333.41 g/mol. Its IUPAC name is N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine
PubChem CID134431150
Molecular FormulaC19H28NO2P
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine
SMILESCOc1ccc(C)cc1OC1CC(/C(P)=N/C2CCCCC2)C1
InChIInChI=1S/C19H28NO2P/c1-13-8-9-17(21-2)18(10-13)22-16-11-14(12-16)19(23)20-15-6-4-3-5-7-15/h8-10,14-16H,3-7,11-12,23H2,1-2H3/b20-19-
InChIKeyIPWRNLAIZYECGI-VXPUYCOJSA-N
XLogP4.77
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
1-amino-2-cyclohexyl-3-(2-methoxy-5-methylphenyl)guanidine
CID 116512151
4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride
CID 118993415
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
N-[(E)-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]but-1-enyl]azetidin-3-amine
CID 134430085
3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol
CID 66343960
1-cyclohexyloxy-2-(3-methoxypropoxy)-4-methylbenzene
CID 59224001
methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate
CID 139373983
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641
(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
CID 98566862
1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 103459031

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine?
The IUPAC name of N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine (CID 134431150) is N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine.
What is the SMILES notation for N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine?
The canonical SMILES for N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine is COc1ccc(C)cc1OC1CC(/C(P)=N/C2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine?
The InChIKey is IPWRNLAIZYECGI-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H28NO2P/c1-13-8-9-17(21-2)18(10-13)22-16-11-14(12-16)19(23)20-15-6-4-3-5-7-15/h8-10,14-16H,3-7,11-12,23H2,1-2H3/b20-19-.
What are the key properties of N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine?
N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine has a molecular weight of 333.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[3-(2-methoxy-5-methylphenoxy)cyclobutyl]-1-phosphanylmethanimine is sourced from PubChem (CID 134431150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).