1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine

C24H33NO — CID 142925888

IUPAC1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine
SMILESCCCCCCCc1cc(C)cc(/C=N/c2ccccc2)c1OC(C)C
InChIInChI=1S/C24H33NO/c1-5-6-7-8-10-13-21-16-20(4)17-22(24(21)26-19(2)3)18-25-23-14-11-9-12-15-23/h9,11-12,14-19H,5-8,10,13H2,1-4H3/b25-18+
InChIKeyBQCIHVCKTYVCIA-XIEYBQDHSA-N
MW351.53 g/mol
LogP7.05
Rot. Bonds10

About 1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine

1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine (PubChem CID 142925888) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine
PubChem CID142925888
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine
SMILESCCCCCCCc1cc(C)cc(/C=N/c2ccccc2)c1OC(C)C
InChIInChI=1S/C24H33NO/c1-5-6-7-8-10-13-21-16-20(4)17-22(24(21)26-19(2)3)18-25-23-14-11-9-12-15-23/h9,11-12,14-19H,5-8,10,13H2,1-4H3/b25-18+
InChIKeyBQCIHVCKTYVCIA-XIEYBQDHSA-N
XLogP7.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methyl-2,5-dipentoxyphenyl)-N-phenylmethanimine
CID 102439863
1-[4-(2,5-dihexylphenyl)phenyl]-N-phenylmethanimine
CID 101410625
N-phenyl-1-(3,4,5-trihexoxyphenyl)methanimine
CID 102392596
5-pentyl-4-propan-2-yloxybenzene-1,3-diol
CID 118547749
1-hexyl-3-propan-2-yloxybenzene
CID 159994008
4-hexyl-2-methylquinoline
CID 12861362
1-(2-ethylphenyl)-N-phenylmethanimine
CID 23340918
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1,2-di(undecyl)benzene
CID 3019479

Frequently Asked Questions

What is the IUPAC name of 1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine?
The IUPAC name of 1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine (CID 142925888) is 1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine is CCCCCCCc1cc(C)cc(/C=N/c2ccccc2)c1OC(C)C.
What is the InChIKey of 1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine?
The InChIKey is BQCIHVCKTYVCIA-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H33NO/c1-5-6-7-8-10-13-21-16-20(4)17-22(24(21)26-19(2)3)18-25-23-14-11-9-12-15-23/h9,11-12,14-19H,5-8,10,13H2,1-4H3/b25-18+.
What are the key properties of 1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine?
1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine has a molecular weight of 351.53 g/mol, XLogP of 7.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine is sourced from PubChem (CID 142925888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).