1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine

C22H23NO — CID 102589146

IUPAC1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine
SMILESCC[C@@H](C)Oc1ccccc1/C(=N\C)c1cccc2ccccc12
InChIInChI=1S/C22H23NO/c1-4-16(2)24-21-15-8-7-13-20(21)22(23-3)19-14-9-11-17-10-5-6-12-18(17)19/h5-16H,4H2,1-3H3/b23-22-/t16-/m1/s1
InChIKeyBXSFQVFYINBSJF-KJXVGZKYSA-N
MW317.43 g/mol
LogP5.48
Rot. Bonds5

About 1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine

1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine (PubChem CID 102589146) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine.

Molecular Properties

Compound Name1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine
PubChem CID102589146
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine
SMILESCC[C@@H](C)Oc1ccccc1/C(=N\C)c1cccc2ccccc12
InChIInChI=1S/C22H23NO/c1-4-16(2)24-21-15-8-7-13-20(21)22(23-3)19-14-9-11-17-10-5-6-12-18(17)19/h5-16H,4H2,1-3H3/b23-22-/t16-/m1/s1
InChIKeyBXSFQVFYINBSJF-KJXVGZKYSA-N
XLogP5.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-yloxybenzoyl chloride
CID 134306055
2-naphthalen-1-yloxypropan-1-ol
CID 13259427
3-butan-2-yloxy-2-methylbenzoic acid
CID 69219357
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
N-(dinaphthalen-1-ylmethylidene)hydroxylamine
CID 88653107
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
bis(2-butan-2-yloxyphenoxy)-dihydroxysilane
CID 156762976
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
naphthalen-1-yl 2-propan-2-yloxybenzoate
CID 23013102
(1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol
CID 63365420
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine?
The IUPAC name of 1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine (CID 102589146) is 1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine.
What is the SMILES notation for 1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine?
The canonical SMILES for 1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine is CC[C@@H](C)Oc1ccccc1/C(=N\C)c1cccc2ccccc12.
What is the InChIKey of 1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine?
The InChIKey is BXSFQVFYINBSJF-KJXVGZKYSA-N. The full InChI is InChI=1S/C22H23NO/c1-4-16(2)24-21-15-8-7-13-20(21)22(23-3)19-14-9-11-17-10-5-6-12-18(17)19/h5-16H,4H2,1-3H3/b23-22-/t16-/m1/s1.
What are the key properties of 1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine?
1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine has a molecular weight of 317.43 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-methyl-1-naphthalen-1-ylmethanimine is sourced from PubChem (CID 102589146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).