N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine

C24H31NO2 — CID 7364115

IUPACN-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/CC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1
InChIInChI=1S/C24H31NO2/c1-24(2)17-21(14-16-27-24)23(20-7-5-4-6-8-20)13-15-25-18-19-9-11-22(26-3)12-10-19/h4-12,18,21,23H,13-17H2,1-3H3/b25-18+/t21-,23+/m1/s1
InChIKeyUGWNKYKPHMNJKO-JKQJJNQASA-N
MW365.52 g/mol
LogP5.49
Rot. Bonds7

About N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine

N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine (PubChem CID 7364115) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine
PubChem CID7364115
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC NameN-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/CC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1
InChIInChI=1S/C24H31NO2/c1-24(2)17-21(14-16-27-24)23(20-7-5-4-6-8-20)13-15-25-18-19-9-11-22(26-3)12-10-19/h4-12,18,21,23H,13-17H2,1-3H3/b25-18+/t21-,23+/m1/s1
InChIKeyUGWNKYKPHMNJKO-JKQJJNQASA-N
XLogP5.49
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)methanimine
CID 7678361
N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-phenylmethanimine
CID 7358429
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(2-methoxyphenyl)propyl]-1-(4-methoxyphenyl)methanimine
CID 7076977
2-[[3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propyl]iminomethyl]phenol
CID 4667607
[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-[(4-methoxyphenyl)methyl]azanium
CID 7077030
(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 7077029
(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 7076934
N-[2-(2,2-dimethyloxan-4-yl)ethyl]-1-(4-methoxyphenyl)methanimine
CID 3129817
3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 52993436
(3R)-N-benzyl-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propan-1-amine
CID 7078961
(3S)-N-benzyl-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propan-1-amine
CID 7078963
6-(2,2-dimethyloxan-4-yl)-3-[(4-methoxyphenyl)methyl]-6-phenylhexan-1-amine
CID 67812474

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine (CID 7364115) is N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/CC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1.
What is the InChIKey of N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine?
The InChIKey is UGWNKYKPHMNJKO-JKQJJNQASA-N. The full InChI is InChI=1S/C24H31NO2/c1-24(2)17-21(14-16-27-24)23(20-7-5-4-6-8-20)13-15-25-18-19-9-11-22(26-3)12-10-19/h4-12,18,21,23H,13-17H2,1-3H3/b25-18+/t21-,23+/m1/s1.
What are the key properties of N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine?
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine has a molecular weight of 365.52 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropyl]-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 7364115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).